2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide

C19H20N4O2S — CID 86807546

IUPAC2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide
SMILESCC(C)c1nc2ccc(NC(=O)NC(C(N)=O)c3ccccc3)cc2s1
InChIInChI=1S/C19H20N4O2S/c1-11(2)18-22-14-9-8-13(10-15(14)26-18)21-19(25)23-16(17(20)24)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,20,24)(H2,21,23,25)
InChIKeyCOQPITCNXVHSTQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.77
Rot. Bonds5

About 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide

2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide (PubChem CID 86807546) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide
PubChem CID86807546
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide
SMILESCC(C)c1nc2ccc(NC(=O)NC(C(N)=O)c3ccccc3)cc2s1
InChIInChI=1S/C19H20N4O2S/c1-11(2)18-22-14-9-8-13(10-15(14)26-18)21-19(25)23-16(17(20)24)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,20,24)(H2,21,23,25)
InChIKeyCOQPITCNXVHSTQ-UHFFFAOYSA-N
XLogP3.77
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
CID 51078431
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
dimethyl (E)-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]but-2-enedioate
CID 168568132
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 119753621
1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxylic acid
CID 117407859
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 99802369
2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 95169004
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
CID 119753620
4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120626172

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide?
The IUPAC name of 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide (CID 86807546) is 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide.
What is the SMILES notation for 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide?
The canonical SMILES for 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide is CC(C)c1nc2ccc(NC(=O)NC(C(N)=O)c3ccccc3)cc2s1.
What is the InChIKey of 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide?
The InChIKey is COQPITCNXVHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11(2)18-22-14-9-8-13(10-15(14)26-18)21-19(25)23-16(17(20)24)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,20,24)(H2,21,23,25).
What are the key properties of 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide?
2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]acetamide is sourced from PubChem (CID 86807546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).