1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide

C19H32IN5OS — CID 119156046

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1nc(C(C)(C)C)cs1)NC1CCN(C(=O)C2CC2)CC1.I
InChIInChI=1S/C19H31N5OS.HI/c1-19(2,3)15-12-26-16(23-15)11-21-18(20-4)22-14-7-9-24(10-8-14)17(25)13-5-6-13;/h12-14H,5-11H2,1-4H3,(H2,20,21,22);1H
InChIKeyWYMVAIDKAIKJAO-UHFFFAOYSA-N
MW505.47 g/mol
LogP3.12
Rot. Bonds4

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide (PubChem CID 119156046) has the molecular formula C19H32IN5OS and a molecular weight of 505.47 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
PubChem CID119156046
Molecular FormulaC19H32IN5OS
Molecular Weight505.47 g/mol
Exact Mass505.14
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1nc(C(C)(C)C)cs1)NC1CCN(C(=O)C2CC2)CC1.I
InChIInChI=1S/C19H31N5OS.HI/c1-19(2,3)15-12-26-16(23-15)11-21-18(20-4)22-14-7-9-24(10-8-14)17(25)13-5-6-13;/h12-14H,5-11H2,1-4H3,(H2,20,21,22);1H
InChIKeyWYMVAIDKAIKJAO-UHFFFAOYSA-N
XLogP3.12
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111838267
N-tert-butyl-2-[[N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111839563
2-methyl-1-(oxan-4-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 119160469
tert-butyl 4-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111617919
2-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 119132259
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
ethyl 4-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330270
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111839623
1-cyclohexyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119115680
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111834452
2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158319
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119156291

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide (CID 119156046) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide is C/N=C(\NCc1nc(C(C)(C)C)cs1)NC1CCN(C(=O)C2CC2)CC1.I.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
The InChIKey is WYMVAIDKAIKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS.HI/c1-19(2,3)15-12-26-16(23-15)11-21-18(20-4)22-14-7-9-24(10-8-14)17(25)13-5-6-13;/h12-14H,5-11H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide has a molecular weight of 505.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119156046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).