N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide

C19H25N3OS — CID 59866085

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)/N=c1\sc(C(C)(C)C)c(C)n1CC1CC1
InChIInChI=1S/C19H25N3OS/c1-12-7-6-10-20-15(12)17(23)21-18-22(11-14-8-9-14)13(2)16(24-18)19(3,4)5/h6-7,10,14H,8-9,11H2,1-5H3/b21-18-
InChIKeyBANDKVMWRCADEW-UZYVYHOESA-N
MW343.50 g/mol
LogP4.01
Rot. Bonds3

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide (PubChem CID 59866085) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide
PubChem CID59866085
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)/N=c1\sc(C(C)(C)C)c(C)n1CC1CC1
InChIInChI=1S/C19H25N3OS/c1-12-7-6-10-20-15(12)17(23)21-18-22(11-14-8-9-14)13(2)16(24-18)19(3,4)5/h6-7,10,14H,8-9,11H2,1-5H3/b21-18-
InChIKeyBANDKVMWRCADEW-UZYVYHOESA-N
XLogP4.01
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide (CID 59866085) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)/N=c1\sc(C(C)(C)C)c(C)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide?
The InChIKey is BANDKVMWRCADEW-UZYVYHOESA-N. The full InChI is InChI=1S/C19H25N3OS/c1-12-7-6-10-20-15(12)17(23)21-18-22(11-14-8-9-14)13(2)16(24-18)19(3,4)5/h6-7,10,14H,8-9,11H2,1-5H3/b21-18-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 59866085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).