2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C14H17N3OS — CID 54862203

IUPAC2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESCC(C)NCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H17N3OS/c1-10(2)16-9-13(18)17-12-5-3-11(4-6-12)14-15-7-8-19-14/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyKTTQDUBGFMJLNN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.75
Rot. Bonds5

About 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 54862203) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
PubChem CID54862203
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESCC(C)NCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H17N3OS/c1-10(2)16-9-13(18)17-12-5-3-11(4-6-12)14-15-7-8-19-14/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyKTTQDUBGFMJLNN-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 54862203) is 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is CC(C)NCC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The InChIKey is KTTQDUBGFMJLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(2)16-9-13(18)17-12-5-3-11(4-6-12)14-15-7-8-19-14/h3-8,10,16H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 54862203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).