2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

C15H16N4OS2 — CID 110451539

IUPAC2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)c1csc(CNC(=O)c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C15H16N4OS2/c1-8(2)11-7-21-13(18-11)6-17-14(20)9-3-4-10-12(5-9)22-15(16)19-10/h3-5,7-8H,6H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyRUOAFMYANASMSZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.39
Rot. Bonds4

About 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 110451539) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID110451539
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)c1csc(CNC(=O)c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C15H16N4OS2/c1-8(2)11-7-21-13(18-11)6-17-14(20)9-3-4-10-12(5-9)22-15(16)19-10/h3-5,7-8H,6H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyRUOAFMYANASMSZ-UHFFFAOYSA-N
XLogP3.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110439900
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 110451539) is 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is CC(C)c1csc(CNC(=O)c2ccc3nc(N)sc3c2)n1.
What is the InChIKey of 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is RUOAFMYANASMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-8(2)11-7-21-13(18-11)6-17-14(20)9-3-4-10-12(5-9)22-15(16)19-10/h3-5,7-8H,6H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110451539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).