1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea

C12H18N4OS — CID 47193198

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCC1CCN(C2CC2)C1)Nc1nccs1
InChIInChI=1S/C12H18N4OS/c17-11(15-12-13-4-6-18-12)14-7-9-3-5-16(8-9)10-1-2-10/h4,6,9-10H,1-3,5,7-8H2,(H2,13,14,15,17)
InChIKeyPCNGSWPLDNLHQR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.75
Rot. Bonds4

About 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 47193198) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID47193198
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCC1CCN(C2CC2)C1)Nc1nccs1
InChIInChI=1S/C12H18N4OS/c17-11(15-12-13-4-6-18-12)14-7-9-3-5-16(8-9)10-1-2-10/h4,6,9-10H,1-3,5,7-8H2,(H2,13,14,15,17)
InChIKeyPCNGSWPLDNLHQR-UHFFFAOYSA-N
XLogP1.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea (CID 47193198) is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCC1CCN(C2CC2)C1)Nc1nccs1.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is PCNGSWPLDNLHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-11(15-12-13-4-6-18-12)14-7-9-3-5-16(8-9)10-1-2-10/h4,6,9-10H,1-3,5,7-8H2,(H2,13,14,15,17).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea?
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 266.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47193198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).