2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 119739512

IUPAC2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)c2csc(CN)n2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-10(2)20-12-6-4-11(5-7-12)17-15(19)13-9-21-14(8-16)18-13/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyYWZXVULCEQTAOG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.03
Rot. Bonds6

About 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119739512) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119739512
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)c2csc(CN)n2)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-10(2)20-12-6-4-11(5-7-12)17-15(19)13-9-21-14(8-16)18-13/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyYWZXVULCEQTAOG-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 119786465
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 119739512) is 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CCC(C)Oc1ccc(NC(=O)c2csc(CN)n2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YWZXVULCEQTAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-10(2)20-12-6-4-11(5-7-12)17-15(19)13-9-21-14(8-16)18-13/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119739512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).