2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride

C14H21ClN4OS2 — CID 120637239

IUPAC2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)c2csc(CCN)n2)s1.Cl
InChIInChI=1S/C14H20N4OS2.ClH/c1-8(2)6-10-14(21-9(3)16-10)18-13(19)11-7-20-12(17-11)4-5-15;/h7-8H,4-6,15H2,1-3H3,(H,18,19);1H
InChIKeyOYTDXESZPSRPML-UHFFFAOYSA-N
MW360.94 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120637239) has the molecular formula C14H21ClN4OS2 and a molecular weight of 360.94 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120637239
Molecular FormulaC14H21ClN4OS2
Molecular Weight360.94 g/mol
Exact Mass360.08
IUPAC Name2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)c2csc(CCN)n2)s1.Cl
InChIInChI=1S/C14H20N4OS2.ClH/c1-8(2)6-10-14(21-9(3)16-10)18-13(19)11-7-20-12(17-11)4-5-15;/h7-8H,4-6,15H2,1-3H3,(H,18,19);1H
InChIKeyOYTDXESZPSRPML-UHFFFAOYSA-N
XLogP3.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.94
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
CID 119810816
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616958
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 119339125
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 66391042

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120637239) is 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1nc(CC(C)C)c(NC(=O)c2csc(CCN)n2)s1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is OYTDXESZPSRPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2.ClH/c1-8(2)6-10-14(21-9(3)16-10)18-13(19)11-7-20-12(17-11)4-5-15;/h7-8H,4-6,15H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 360.94 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).