N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C18H14N4OS2 — CID 17492594

IUPACN-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)c1nc2ccccc2s1
InChIInChI=1S/C18H14N4OS2/c1-11-15(25-16(20-11)13-8-5-6-10-19-13)17(23)22(2)18-21-12-7-3-4-9-14(12)24-18/h3-10H,1-2H3
InChIKeyVEKMZOBLRUNZES-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.40
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 17492594) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID17492594
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)N(C)c1nc2ccccc2s1
InChIInChI=1S/C18H14N4OS2/c1-11-15(25-16(20-11)13-8-5-6-10-19-13)17(23)22(2)18-21-12-7-3-4-9-14(12)24-18/h3-10H,1-2H3
InChIKeyVEKMZOBLRUNZES-UHFFFAOYSA-N
XLogP4.40
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18109857
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137814
N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134060937
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 24512746
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
[2-(N-methylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137078
N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816277
N,4-dimethyl-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24515264
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137569

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 17492594) is N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)N(C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VEKMZOBLRUNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-11-15(25-16(20-11)13-8-5-6-10-19-13)17(23)22(2)18-21-12-7-3-4-9-14(12)24-18/h3-10H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17492594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).