N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide

C14H13N3OS2 — CID 30715657

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESCC(C)c1csc(NC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C14H13N3OS2/c1-8(2)10-7-19-14(16-10)17-12(18)13-15-9-5-3-4-6-11(9)20-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyDPDJNDNVQGYYMR-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.13
Rot. Bonds3

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 30715657) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID30715657
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESCC(C)c1csc(NC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C14H13N3OS2/c1-8(2)10-7-19-14(16-10)17-12(18)13-15-9-5-3-4-6-11(9)20-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyDPDJNDNVQGYYMR-UHFFFAOYSA-N
XLogP4.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950
N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7189855
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 30715660
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 121029761
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 30715818
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 60679000

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide (CID 30715657) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide is CC(C)c1csc(NC(=O)c2nc3ccccc3s2)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is DPDJNDNVQGYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-8(2)10-7-19-14(16-10)17-12(18)13-15-9-5-3-4-6-11(9)20-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 30715657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).