[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate

C15H14N4O2S2 — CID 175168919

IUPAC[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate
SMILESCn1cc(-c2cccc(Sc3cnc(COC(N)=O)s3)c2)cn1
InChIInChI=1S/C15H14N4O2S2/c1-19-8-11(6-18-19)10-3-2-4-12(5-10)22-14-7-17-13(23-14)9-21-15(16)20/h2-8H,9H2,1H3,(H2,16,20)
InChIKeyDYDBLVATOWVOGF-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.29
Rot. Bonds5

About [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate

[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate (PubChem CID 175168919) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate.

Molecular Properties

Compound Name[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate
PubChem CID175168919
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate
SMILESCn1cc(-c2cccc(Sc3cnc(COC(N)=O)s3)c2)cn1
InChIInChI=1S/C15H14N4O2S2/c1-19-8-11(6-18-19)10-3-2-4-12(5-10)22-14-7-17-13(23-14)9-21-15(16)20/h2-8H,9H2,1H3,(H2,16,20)
InChIKeyDYDBLVATOWVOGF-UHFFFAOYSA-N
XLogP3.29
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[[5-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl]carbamate
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[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methyl carbamate
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N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
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tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
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CID 110477766
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N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263
2-amino-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-pyridin-2-ylpropanamide
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[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
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2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875

Frequently Asked Questions

What is the IUPAC name of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate?
The IUPAC name of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate (CID 175168919) is [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate.
What is the SMILES notation for [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate?
The canonical SMILES for [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate is Cn1cc(-c2cccc(Sc3cnc(COC(N)=O)s3)c2)cn1.
What is the InChIKey of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate?
The InChIKey is DYDBLVATOWVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-19-8-11(6-18-19)10-3-2-4-12(5-10)22-14-7-17-13(23-14)9-21-15(16)20/h2-8H,9H2,1H3,(H2,16,20).
What are the key properties of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate?
[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate has a molecular weight of 346.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfanyl-1,3-thiazol-2-yl]methyl carbamate is sourced from PubChem (CID 175168919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).