N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C16H17N5OS2 — CID 42121020

IUPACN-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCc1nc(SCc2csc(N(C(C)=O)c3ccccc3)n2)n[nH]1
InChIInChI=1S/C16H17N5OS2/c1-3-14-18-15(20-19-14)23-9-12-10-24-16(17-12)21(11(2)22)13-7-5-4-6-8-13/h4-8,10H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyJUVBNRAQDJEJMO-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.80
Rot. Bonds6

About N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 42121020) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID42121020
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC NameN-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCc1nc(SCc2csc(N(C(C)=O)c3ccccc3)n2)n[nH]1
InChIInChI=1S/C16H17N5OS2/c1-3-14-18-15(20-19-14)23-9-12-10-24-16(17-12)21(11(2)22)13-7-5-4-6-8-13/h4-8,10H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyJUVBNRAQDJEJMO-UHFFFAOYSA-N
XLogP3.80
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
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CID 24619157
N-[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825395
N-[4-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 136797557
N-(3-chlorophenyl)-N-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 39046550
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 16527843
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772074
N-[4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31456717
N-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4823781
N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8788294
N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 42121020) is N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CCc1nc(SCc2csc(N(C(C)=O)c3ccccc3)n2)n[nH]1.
What is the InChIKey of N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is JUVBNRAQDJEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-3-14-18-15(20-19-14)23-9-12-10-24-16(17-12)21(11(2)22)13-7-5-4-6-8-13/h4-8,10H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 359.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 42121020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).