2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide

C16H18N4OS2 — CID 56910295

IUPAC2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C16H18N4OS2/c1-9-6-11(7-13-14(9)19-16(17)23-13)15(21)20(3)5-4-12-10(2)18-8-22-12/h6-8H,4-5H2,1-3H3,(H2,17,19)
InChIKeyHYRAOMCNHBWMSK-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.27
Rot. Bonds4

About 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide

2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 56910295) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID56910295
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C16H18N4OS2/c1-9-6-11(7-13-14(9)19-16(17)23-13)15(21)20(3)5-4-12-10(2)18-8-22-12/h6-8H,4-5H2,1-3H3,(H2,17,19)
InChIKeyHYRAOMCNHBWMSK-UHFFFAOYSA-N
XLogP3.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70747283
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N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
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3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
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2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 56910295) is 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide is Cc1ncsc1CCN(C)C(=O)c1cc(C)c2nc(N)sc2c1.
What is the InChIKey of 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is HYRAOMCNHBWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-9-6-11(7-13-14(9)19-16(17)23-13)15(21)20(3)5-4-12-10(2)18-8-22-12/h6-8H,4-5H2,1-3H3,(H2,17,19).
What are the key properties of 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 56910295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).