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

C18H23N3OS — CID 59865774

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)c2ccccn2)n1CC1CC1
InChIInChI=1S/C18H23N3OS/c1-12-15(18(2,3)4)23-17(21(12)11-13-8-9-13)20-16(22)14-7-5-6-10-19-14/h5-7,10,13H,8-9,11H2,1-4H3/b20-17-
InChIKeyGIUGSDMJPRTBCH-JZJYNLBNSA-N
MW329.47 g/mol
LogP3.70
Rot. Bonds3

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

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide (PubChem CID 59865774) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide
PubChem CID59865774
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)c2ccccn2)n1CC1CC1
InChIInChI=1S/C18H23N3OS/c1-12-15(18(2,3)4)23-17(21(12)11-13-8-9-13)20-16(22)14-7-5-6-10-19-14/h5-7,10,13H,8-9,11H2,1-4H3/b20-17-
InChIKeyGIUGSDMJPRTBCH-JZJYNLBNSA-N
XLogP3.70
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.70
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]pyridine-2-carboxamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide (CID 59865774) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccccn2)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide?
The InChIKey is GIUGSDMJPRTBCH-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-15(18(2,3)4)23-17(21(12)11-13-8-9-13)20-16(22)14-7-5-6-10-19-14/h5-7,10,13H,8-9,11H2,1-4H3/b20-17-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.70, 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]pyridine-2-carboxamide is sourced from PubChem (CID 59865774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).