N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide

C6H9N3OS — CID 82503250

IUPACN-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide
SMILESCc1nsc(NC=O)c1CN
InChIInChI=1S/C6H9N3OS/c1-4-5(2-7)6(8-3-10)11-9-4/h3H,2,7H2,1H3,(H,8,10)
InChIKeyVJAODQRMTVQVCI-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.48
Rot. Bonds3

About N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide

N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide (PubChem CID 82503250) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide
PubChem CID82503250
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide
SMILESCc1nsc(NC=O)c1CN
InChIInChI=1S/C6H9N3OS/c1-4-5(2-7)6(8-3-10)11-9-4/h3H,2,7H2,1H3,(H,8,10)
InChIKeyVJAODQRMTVQVCI-UHFFFAOYSA-N
XLogP0.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate
CID 82506211
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
CID 138481254
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
5-[(4-amino-2-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 80545102
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 103156202
5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81080329
cyanomethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27194611
(4-chloro-3-methyl-1,2-thiazol-5-yl)urea
CID 130775691
[2,3,4,5,6-pentakis(aminomethyl)phenyl]methanamine;hexahydrochloride
CID 170899680
N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane
CID 142027710
5-(but-2-ynoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107986520

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide?
The IUPAC name of N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide (CID 82503250) is N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide?
The canonical SMILES for N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide is Cc1nsc(NC=O)c1CN.
What is the InChIKey of N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide?
The InChIKey is VJAODQRMTVQVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-5(2-7)6(8-3-10)11-9-4/h3H,2,7H2,1H3,(H,8,10).
What are the key properties of N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide?
N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide has a molecular weight of 171.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide is sourced from PubChem (CID 82503250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).