1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea

C9H13N3O2S — CID 154834704

IUPAC1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NCC2CC2)s1
InChIInChI=1S/C9H13N3O2S/c1-14-7-5-11-9(15-7)12-8(13)10-4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyRCBFTKKKJRQLMM-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.68
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea

1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea (PubChem CID 154834704) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
PubChem CID154834704
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NCC2CC2)s1
InChIInChI=1S/C9H13N3O2S/c1-14-7-5-11-9(15-7)12-8(13)10-4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyRCBFTKKKJRQLMM-UHFFFAOYSA-N
XLogP1.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea (CID 154834704) is 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea is COc1cnc(NC(=O)NCC2CC2)s1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The InChIKey is RCBFTKKKJRQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-14-7-5-11-9(15-7)12-8(13)10-4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea has a molecular weight of 227.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 154834704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).