N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide

C16H13N3O2S — CID 33391273

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H13N3O2S/c17-14(20)8-13-9-22-16(18-13)19-15(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H2,17,20)(H,18,19,21)
InChIKeyBAZRMUHEHNIOGL-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.58
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 33391273) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
PubChem CID33391273
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H13N3O2S/c17-14(20)8-13-9-22-16(18-13)19-15(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H2,17,20)(H,18,19,21)
InChIKeyBAZRMUHEHNIOGL-UHFFFAOYSA-N
XLogP2.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide
CID 24584483
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-cyclopentyloxy-3-methoxybenzamide
CID 55793064
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55483539
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 33391273) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is NC(=O)Cc1csc(NC(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is BAZRMUHEHNIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-14(20)8-13-9-22-16(18-13)19-15(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H2,17,20)(H,18,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 33391273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).