N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide

C17H16N4O2S — CID 42912111

IUPACN-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide
SMILESCc1nc2ccc(NC(C(=O)NC(N)=O)c3ccccc3)cc2s1
InChIInChI=1S/C17H16N4O2S/c1-10-19-13-8-7-12(9-14(13)24-10)20-15(16(22)21-17(18)23)11-5-3-2-4-6-11/h2-9,15,20H,1H3,(H3,18,21,22,23)
InChIKeyVBEQSVUVVPJMJE-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.95
Rot. Bonds4

About N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide

N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide (PubChem CID 42912111) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide
PubChem CID42912111
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide
SMILESCc1nc2ccc(NC(C(=O)NC(N)=O)c3ccccc3)cc2s1
InChIInChI=1S/C17H16N4O2S/c1-10-19-13-8-7-12(9-14(13)24-10)20-15(16(22)21-17(18)23)11-5-3-2-4-6-11/h2-9,15,20H,1H3,(H3,18,21,22,23)
InChIKeyVBEQSVUVVPJMJE-UHFFFAOYSA-N
XLogP2.95
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
CID 79008754
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propan-1-one
CID 36598546
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide?
The IUPAC name of N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide (CID 42912111) is N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide.
What is the SMILES notation for N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide?
The canonical SMILES for N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide is Cc1nc2ccc(NC(C(=O)NC(N)=O)c3ccccc3)cc2s1.
What is the InChIKey of N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide?
The InChIKey is VBEQSVUVVPJMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-19-13-8-7-12(9-14(13)24-10)20-15(16(22)21-17(18)23)11-5-3-2-4-6-11/h2-9,15,20H,1H3,(H3,18,21,22,23).
What are the key properties of N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide?
N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide has a molecular weight of 340.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 42912111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).