2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C12H14N4OS2 — CID 119897334

IUPAC2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCc2nc(C3CC3)cs2)cs1
InChIInChI=1S/C12H14N4OS2/c13-3-10-16-9(6-18-10)12(17)14-4-11-15-8(5-19-11)7-1-2-7/h5-7H,1-4,13H2,(H,14,17)
InChIKeyTYBKLQGTIUZEGZ-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.87
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119897334) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID119897334
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCc2nc(C3CC3)cs2)cs1
InChIInChI=1S/C12H14N4OS2/c13-3-10-16-9(6-18-10)12(17)14-4-11-15-8(5-19-11)7-1-2-7/h5-7H,1-4,13H2,(H,14,17)
InChIKeyTYBKLQGTIUZEGZ-UHFFFAOYSA-N
XLogP1.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
CID 119897286
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375755
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016376
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 119897334) is 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCc2nc(C3CC3)cs2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TYBKLQGTIUZEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c13-3-10-16-9(6-18-10)12(17)14-4-11-15-8(5-19-11)7-1-2-7/h5-7H,1-4,13H2,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 294.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119897334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).