1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine

C8H15N5S — CID 104886166

IUPAC1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine
SMILESCC(C)N/C(=N\Cc1cscn1)NN
InChIInChI=1S/C8H15N5S/c1-6(2)12-8(13-9)10-3-7-4-14-5-11-7/h4-6H,3,9H2,1-2H3,(H2,10,12,13)
InChIKeyMMQMQWRVLKXZRC-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.46
Rot. Bonds3

About 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine

1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine (PubChem CID 104886166) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine
PubChem CID104886166
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine
SMILESCC(C)N/C(=N\Cc1cscn1)NN
InChIInChI=1S/C8H15N5S/c1-6(2)12-8(13-9)10-3-7-4-14-5-11-7/h4-6H,3,9H2,1-2H3,(H2,10,12,13)
InChIKeyMMQMQWRVLKXZRC-UHFFFAOYSA-N
XLogP0.46
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine 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

1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine
CID 63825556
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 116513831
2-methyl-1-(1,3-thiazol-4-ylmethyl)guanidine
CID 62407841
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea
CID 47950516

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine (CID 104886166) is 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine is CC(C)N/C(=N\Cc1cscn1)NN.
What is the InChIKey of 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine?
The InChIKey is MMQMQWRVLKXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-6(2)12-8(13-9)10-3-7-4-14-5-11-7/h4-6H,3,9H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine?
1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine has a molecular weight of 213.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine is sourced from PubChem (CID 104886166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).