4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

C14H17N3O2S — CID 82033947

IUPAC4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCOc1ccccc1-c1csc(NC(=O)CCCN)n1
InChIInChI=1S/C14H17N3O2S/c1-19-12-6-3-2-5-10(12)11-9-20-14(16-11)17-13(18)7-4-8-15/h2-3,5-6,9H,4,7-8,15H2,1H3,(H,16,17,18)
InChIKeyINDHWOMYRDSLPD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.50
Rot. Bonds6

About 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 82033947) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID82033947
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCOc1ccccc1-c1csc(NC(=O)CCCN)n1
InChIInChI=1S/C14H17N3O2S/c1-19-12-6-3-2-5-10(12)11-9-20-14(16-11)17-13(18)7-4-8-15/h2-3,5-6,9H,4,7-8,15H2,1H3,(H,16,17,18)
InChIKeyINDHWOMYRDSLPD-UHFFFAOYSA-N
XLogP2.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229212
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 119676852
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 82033947) is 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is COc1ccccc1-c1csc(NC(=O)CCCN)n1.
What is the InChIKey of 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is INDHWOMYRDSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-12-6-3-2-5-10(12)11-9-20-14(16-11)17-13(18)7-4-8-15/h2-3,5-6,9H,4,7-8,15H2,1H3,(H,16,17,18).
What are the key properties of 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 291.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 82033947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).