2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

C12H20Cl2N4OS — CID 119864834

IUPAC2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C12H18N4OS.2ClH/c13-5-11-15-10(7-18-11)12(17)14-8-3-4-16(6-8)9-1-2-9;;/h7-9H,1-6,13H2,(H,14,17);2*1H
InChIKeyWSHKUQHQJIEPDE-UHFFFAOYSA-N
MW339.29 g/mol
LogP1.41
Rot. Bonds4

About 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119864834) has the molecular formula C12H20Cl2N4OS and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119864834
Molecular FormulaC12H20Cl2N4OS
Molecular Weight339.29 g/mol
Exact Mass338.07
IUPAC Name2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C12H18N4OS.2ClH/c13-5-11-15-10(7-18-11)12(17)14-8-3-4-16(6-8)9-1-2-9;;/h7-9H,1-6,13H2,(H,14,17);2*1H
InChIKeyWSHKUQHQJIEPDE-UHFFFAOYSA-N
XLogP1.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 124612387
5-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 55231554
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884161

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119864834) is 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)NC2CCN(C3CC3)C2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WSHKUQHQJIEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS.2ClH/c13-5-11-15-10(7-18-11)12(17)14-8-3-4-16(6-8)9-1-2-9;;/h7-9H,1-6,13H2,(H,14,17);2*1H.
What are the key properties of 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 339.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119864834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).