1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine

C17H29N5OS — CID 119156291

IUPAC1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
SMILESC/N=C(\NCCc1nc(C(C)(C)C)cs1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C17H29N5OS/c1-17(2,3)13-11-24-14(21-13)8-9-19-16(18-4)20-12-6-7-15(23)22(5)10-12/h11-12H,6-10H2,1-5H3,(H2,18,19,20)
InChIKeySDZYSJGGGFCDPT-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.77
Rot. Bonds4

About 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine

1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine (PubChem CID 119156291) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
PubChem CID119156291
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
SMILESC/N=C(\NCCc1nc(C(C)(C)C)cs1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C17H29N5OS/c1-17(2,3)13-11-24-14(21-13)8-9-19-16(18-4)20-12-6-7-15(23)22(5)10-12/h11-12H,6-10H2,1-5H3,(H2,18,19,20)
InChIKeySDZYSJGGGFCDPT-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.77
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'}

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Related Compounds

1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111839599
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119160705
1-butan-2-yl-3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111545331
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109464029
1-(3-butoxypropyl)-3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111836784
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 119156046
2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111689336
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111837127
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545883
1-[(3-hydroxythiolan-3-yl)methyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119162414
1-[2-(3,4-difluorophenoxy)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119156287
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119157239

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The IUPAC name of 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine (CID 119156291) is 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine.
What is the SMILES notation for 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The canonical SMILES for 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine is C/N=C(\NCCc1nc(C(C)(C)C)cs1)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The InChIKey is SDZYSJGGGFCDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-17(2,3)13-11-24-14(21-13)8-9-19-16(18-4)20-12-6-7-15(23)22(5)10-12/h11-12H,6-10H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine has a molecular weight of 351.52 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine is sourced from PubChem (CID 119156291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).