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

C9H15N3OS — CID 16654058

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea
SMILESCc1nc(NC(=O)NC(C)C)sc1C
InChIInChI=1S/C9H15N3OS/c1-5(2)10-8(13)12-9-11-6(3)7(4)14-9/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyRCJWNGJUTSHJOI-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.29
Rot. Bonds2

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea (PubChem CID 16654058) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea
PubChem CID16654058
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea
SMILESCc1nc(NC(=O)NC(C)C)sc1C
InChIInChI=1S/C9H15N3OS/c1-5(2)10-8(13)12-9-11-6(3)7(4)14-9/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyRCJWNGJUTSHJOI-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea (CID 16654058) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea is Cc1nc(NC(=O)NC(C)C)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea?
The InChIKey is RCJWNGJUTSHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5(2)10-8(13)12-9-11-6(3)7(4)14-9/h5H,1-4H3,(H2,10,11,12,13).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea has a molecular weight of 213.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 16654058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).