N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide

C14H16N2OS3 — CID 47394092

IUPACN-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1csc(SCC(=O)N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H16N2OS3/c1-10-7-19-14(15-10)20-9-13(17)16(12-2-3-12)6-11-4-5-18-8-11/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyUKVIVKUYZAVLAL-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.80
Rot. Bonds6

About N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide

N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 47394092) has the molecular formula C14H16N2OS3 and a molecular weight of 324.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID47394092
Molecular FormulaC14H16N2OS3
Molecular Weight324.50 g/mol
Exact Mass324.04
IUPAC NameN-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1csc(SCC(=O)N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H16N2OS3/c1-10-7-19-14(15-10)20-9-13(17)16(12-2-3-12)6-11-4-5-18-8-11/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyUKVIVKUYZAVLAL-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide (CID 47394092) is N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide is Cc1csc(SCC(=O)N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is UKVIVKUYZAVLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS3/c1-10-7-19-14(15-10)20-9-13(17)16(12-2-3-12)6-11-4-5-18-8-11/h4-5,7-8,12H,2-3,6,9H2,1H3.
What are the key properties of N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 324.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 47394092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).