N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide

C19H19N3OS — CID 77084354

IUPACN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ccc3nc(C)sc3c2)C2CC2)c1
InChIInChI=1S/C19H19N3OS/c1-11-7-8-20-16(9-11)18(13-3-4-13)22-19(23)14-5-6-15-17(10-14)24-12(2)21-15/h5-10,13,18H,3-4H2,1-2H3,(H,22,23)
InChIKeyNFUXLGVAKFONPW-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.19
Rot. Bonds4

About N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide

N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 77084354) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID77084354
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ccc3nc(C)sc3c2)C2CC2)c1
InChIInChI=1S/C19H19N3OS/c1-11-7-8-20-16(9-11)18(13-3-4-13)22-19(23)14-5-6-15-17(10-14)24-12(2)21-15/h5-10,13,18H,3-4H2,1-2H3,(H,22,23)
InChIKeyNFUXLGVAKFONPW-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
CID 51599963
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
CID 125157109
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 99938331
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
(3R)-3-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid
CID 126451493
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 74236477
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77085408
3-(chloromethyl)-N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
CID 146455897

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide (CID 77084354) is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1ccnc(C(NC(=O)c2ccc3nc(C)sc3c2)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is NFUXLGVAKFONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-7-8-20-16(9-11)18(13-3-4-13)22-19(23)14-5-6-15-17(10-14)24-12(2)21-15/h5-10,13,18H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 77084354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).