N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C16H15N3O2S — CID 60531317

IUPACN-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C16H15N3O2S/c1-12-15(22-11-18-12)16(20)19(10-14-5-3-7-21-14)9-13-4-2-6-17-8-13/h2-8,11H,9-10H2,1H3
InChIKeyNQDRZNXKPFLVFQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.28
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 60531317) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID60531317
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C16H15N3O2S/c1-12-15(22-11-18-12)16(20)19(10-14-5-3-7-21-14)9-13-4-2-6-17-8-13/h2-8,11H,9-10H2,1H3
InChIKeyNQDRZNXKPFLVFQ-UHFFFAOYSA-N
XLogP3.28
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 60531317) is N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NQDRZNXKPFLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-15(22-11-18-12)16(20)19(10-14-5-3-7-21-14)9-13-4-2-6-17-8-13/h2-8,11H,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60531317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).