2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 66377258

IUPAC2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1cccc(NC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C15H19N3O2S/c1-10(2)8-20-12-5-3-4-11(6-12)17-15(19)13-9-21-14(7-16)18-13/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyHADMPULPHBFTPV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.89
Rot. Bonds6

About 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 66377258) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID66377258
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1cccc(NC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C15H19N3O2S/c1-10(2)8-20-12-5-3-4-11(6-12)17-15(19)13-9-21-14(7-16)18-13/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyHADMPULPHBFTPV-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622391
2-(aminomethyl)-N-(3-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714966
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
3-amino-N-[3-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808459
2-(2-aminoethyl)-N-[3-chloro-4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621378
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 66377258) is 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide is CC(C)COc1cccc(NC(=O)c2csc(CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HADMPULPHBFTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)8-20-12-5-3-4-11(6-12)17-15(19)13-9-21-14(7-16)18-13/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).