2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C14H14N4OS2 — CID 62793434

IUPAC2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C14H14N4OS2/c1-8-12(21-14(15)16-8)13(19)18(2)7-11-17-9-5-3-4-6-10(9)20-11/h3-6H,7H2,1-2H3,(H2,15,16)
InChIKeyOPKLMDLFZPWHGR-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.92
Rot. Bonds3

About 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 62793434) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID62793434
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C14H14N4OS2/c1-8-12(21-14(15)16-8)13(19)18(2)7-11-17-9-5-3-4-6-10(9)20-11/h3-6H,7H2,1-2H3,(H2,15,16)
InChIKeyOPKLMDLFZPWHGR-UHFFFAOYSA-N
XLogP2.92
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63103405
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
2-amino-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62793462
N-(1,3-benzothiazol-2-ylmethyl)-2-(furan-2-yl)-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628531
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-4-propylthiophene-2-carboxamide
CID 18117561
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 62793434) is 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N(C)Cc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OPKLMDLFZPWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-12(21-14(15)16-8)13(19)18(2)7-11-17-9-5-3-4-6-10(9)20-11/h3-6H,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).