2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride

C12H17ClF3N3OS — CID 119820496

IUPAC2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)N(CCC(F)(F)F)CC2CC2)cs1
InChIInChI=1S/C12H16F3N3OS.ClH/c13-12(14,15)3-4-18(6-8-1-2-8)11(19)9-7-20-10(5-16)17-9;/h7-8H,1-6,16H2;1H
InChIKeyMZHNHTJHQUQOIL-UHFFFAOYSA-N
MW343.80 g/mol
LogP2.83
Rot. Bonds6

About 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119820496) has the molecular formula C12H17ClF3N3OS and a molecular weight of 343.80 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119820496
Molecular FormulaC12H17ClF3N3OS
Molecular Weight343.80 g/mol
Exact Mass343.07
IUPAC Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)N(CCC(F)(F)F)CC2CC2)cs1
InChIInChI=1S/C12H16F3N3OS.ClH/c13-12(14,15)3-4-18(6-8-1-2-8)11(19)9-7-20-10(5-16)17-9;/h7-8H,1-6,16H2;1H
InChIKeyMZHNHTJHQUQOIL-UHFFFAOYSA-N
XLogP2.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616809
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377451
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377464
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 120638824
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727919
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119820496) is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)N(CCC(F)(F)F)CC2CC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is MZHNHTJHQUQOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS.ClH/c13-12(14,15)3-4-18(6-8-1-2-8)11(19)9-7-20-10(5-16)17-9;/h7-8H,1-6,16H2;1H.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 343.80 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119820496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).