1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea

C10H11N3OS2 — CID 110706893

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
SMILESCc1nc(NC(=O)Nc2cccs2)sc1C
InChIInChI=1S/C10H11N3OS2/c1-6-7(2)16-10(11-6)13-9(14)12-8-4-3-5-15-8/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyRDBFBAXWGVNMHJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea (PubChem CID 110706893) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
PubChem CID110706893
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
SMILESCc1nc(NC(=O)Nc2cccs2)sc1C
InChIInChI=1S/C10H11N3OS2/c1-6-7(2)16-10(11-6)13-9(14)12-8-4-3-5-15-8/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyRDBFBAXWGVNMHJ-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082548
1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082399
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbenzoic acid
CID 62948769
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 20885064
N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 41322464
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-3-hydroxybenzoic acid
CID 61465540
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61465707
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
CID 61465850
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-phenylethenyl]urea
CID 108903306
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea (CID 110706893) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea is Cc1nc(NC(=O)Nc2cccs2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
The InChIKey is RDBFBAXWGVNMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-6-7(2)16-10(11-6)13-9(14)12-8-4-3-5-15-8/h3-5H,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea has a molecular weight of 253.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 110706893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).