4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride

C15H21Cl2N3OS — CID 119858740

IUPAC4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
SMILESCc1csc(C(C)(C)NC(=O)c2ccc(CN)cc2)n1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-9-20-14(17-10)15(2,3)18-13(19)12-6-4-11(8-16)5-7-12;;/h4-7,9H,8,16H2,1-3H3,(H,18,19);2*1H
InChIKeyOUHCZLICOBJFOX-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.42
Rot. Bonds4

About 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride

4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride (PubChem CID 119858740) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
PubChem CID119858740
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride
SMILESCc1csc(C(C)(C)NC(=O)c2ccc(CN)cc2)n1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-9-20-14(17-10)15(2,3)18-13(19)12-6-4-11(8-16)5-7-12;;/h4-7,9H,8,16H2,1-3H3,(H,18,19);2*1H
InChIKeyOUHCZLICOBJFOX-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]propanamide
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4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
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2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
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4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
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2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]benzoic acid
CID 119185819
2-(1-hydroxycyclohexyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride (CID 119858740) is 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride is Cc1csc(C(C)(C)NC(=O)c2ccc(CN)cc2)n1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
The InChIKey is OUHCZLICOBJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10-9-20-14(17-10)15(2,3)18-13(19)12-6-4-11(8-16)5-7-12;;/h4-7,9H,8,16H2,1-3H3,(H,18,19);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride?
4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119858740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).