N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H18N6OS2 — CID 650828

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1
InChIInChI=1S/C16H18N6OS2/c1-3-7-22-14(12-5-4-6-17-8-12)20-21-16(22)25-10-13(23)19-15-18-11(2)9-24-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,23)
InChIKeySRRAYYSNGVWCLH-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.25
Rot. Bonds7

About N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 650828) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID650828
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1
InChIInChI=1S/C16H18N6OS2/c1-3-7-22-14(12-5-4-6-17-8-12)20-21-16(22)25-10-13(23)19-15-18-11(2)9-24-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,23)
InChIKeySRRAYYSNGVWCLH-UHFFFAOYSA-N
XLogP3.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 650828) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SRRAYYSNGVWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-3-7-22-14(12-5-4-6-17-8-12)20-21-16(22)25-10-13(23)19-15-18-11(2)9-24-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 374.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 650828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).