N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C20H18N4OS3 — CID 34252090

IUPACN-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3ncnc4ccsc34)cs2)cc1
InChIInChI=1S/C20H18N4OS3/c1-3-14-4-6-16(7-5-14)24(13(2)25)20-23-15(11-28-20)10-27-19-18-17(8-9-26-18)21-12-22-19/h4-9,11-12H,3,10H2,1-2H3
InChIKeyMWKSCZNKONYQSO-UHFFFAOYSA-N
MW426.59 g/mol
LogP5.69
Rot. Bonds6

About N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 34252090) has the molecular formula C20H18N4OS3 and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID34252090
Molecular FormulaC20H18N4OS3
Molecular Weight426.59 g/mol
Exact Mass426.06
IUPAC NameN-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CSc3ncnc4ccsc34)cs2)cc1
InChIInChI=1S/C20H18N4OS3/c1-3-14-4-6-16(7-5-14)24(13(2)25)20-23-15(11-28-20)10-27-19-18-17(8-9-26-18)21-12-22-19/h4-9,11-12H,3,10H2,1-2H3
InChIKeyMWKSCZNKONYQSO-UHFFFAOYSA-N
XLogP5.69
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252207
N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 38540845
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 16527843
N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 9272803
N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 7866554
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 112779904
N-(4-ethylphenyl)-N-[4-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35041396
N-[4-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 78831128
ethyl 6-[[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 16556726
N-[4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 46815804
N-(4-ethylphenyl)-N-[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 55578534
N-(4-ethylphenyl)-N-[4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16508654

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 34252090) is N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(N(C(C)=O)c2nc(CSc3ncnc4ccsc34)cs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MWKSCZNKONYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS3/c1-3-14-4-6-16(7-5-14)24(13(2)25)20-23-15(11-28-20)10-27-19-18-17(8-9-26-18)21-12-22-19/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 426.59 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 34252090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).