1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea

C14H13N3OS3 — CID 71795439

IUPAC1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Nc1cccs1
InChIInChI=1S/C14H13N3OS3/c1-9-11(21-13(16-9)10-4-2-6-19-10)8-15-14(18)17-12-5-3-7-20-12/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyHMFDAWDOVRPGGW-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.56
Rot. Bonds4

About 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea

1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea (PubChem CID 71795439) has the molecular formula C14H13N3OS3 and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea
PubChem CID71795439
Molecular FormulaC14H13N3OS3
Molecular Weight335.48 g/mol
Exact Mass335.02
IUPAC Name1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Nc1cccs1
InChIInChI=1S/C14H13N3OS3/c1-9-11(21-13(16-9)10-4-2-6-19-10)8-15-14(18)17-12-5-3-7-20-12/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyHMFDAWDOVRPGGW-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea (CID 71795439) is 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea is Cc1nc(-c2cccs2)sc1CNC(=O)Nc1cccs1.
What is the InChIKey of 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea?
The InChIKey is HMFDAWDOVRPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS3/c1-9-11(21-13(16-9)10-4-2-6-19-10)8-15-14(18)17-12-5-3-7-20-12/h2-7H,8H2,1H3,(H2,15,17,18).
What are the key properties of 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea?
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea has a molecular weight of 335.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71795439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).