[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone

C8H7N3OS2 — CID 131110938

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESNCc1nc(C(=O)c2cscn2)cs1
InChIInChI=1S/C8H7N3OS2/c9-1-7-11-6(3-14-7)8(12)5-2-13-4-10-5/h2-4H,1,9H2
InChIKeyMGCPRHCGIWGCBM-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.29
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131110938) has the molecular formula C8H7N3OS2 and a molecular weight of 225.30 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131110938
Molecular FormulaC8H7N3OS2
Molecular Weight225.30 g/mol
Exact Mass225.00
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESNCc1nc(C(=O)c2cscn2)cs1
InChIInChI=1S/C8H7N3OS2/c9-1-7-11-6(3-14-7)8(12)5-2-13-4-10-5/h2-4H,1,9H2
InChIKeyMGCPRHCGIWGCBM-UHFFFAOYSA-N
XLogP1.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-2-en-1-one
CID 116585165
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
CID 116585198
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116585316
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone (CID 131110938) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone is NCc1nc(C(=O)c2cscn2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is MGCPRHCGIWGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS2/c9-1-7-11-6(3-14-7)8(12)5-2-13-4-10-5/h2-4H,1,9H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 225.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131110938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).