1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea

C11H18N4OS — CID 121144831

IUPAC1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
SMILESCCCNC(=O)NC1CCN(c2nccs2)C1
InChIInChI=1S/C11H18N4OS/c1-2-4-12-10(16)14-9-3-6-15(8-9)11-13-5-7-17-11/h5,7,9H,2-4,6,8H2,1H3,(H2,12,14,16)
InChIKeyKPIQFBDNGZRLTO-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.43
Rot. Bonds4

About 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea

1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea (PubChem CID 121144831) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
PubChem CID121144831
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
SMILESCCCNC(=O)NC1CCN(c2nccs2)C1
InChIInChI=1S/C11H18N4OS/c1-2-4-12-10(16)14-9-3-6-15(8-9)11-13-5-7-17-11/h5,7,9H,2-4,6,8H2,1H3,(H2,12,14,16)
InChIKeyKPIQFBDNGZRLTO-UHFFFAOYSA-N
XLogP1.43
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
1-[(3S)-1-ethylpiperidin-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 94400531
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea (CID 121144831) is 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea is CCCNC(=O)NC1CCN(c2nccs2)C1.
What is the InChIKey of 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
The InChIKey is KPIQFBDNGZRLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-4-12-10(16)14-9-3-6-15(8-9)11-13-5-7-17-11/h5,7,9H,2-4,6,8H2,1H3,(H2,12,14,16).
What are the key properties of 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea?
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea has a molecular weight of 254.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 121144831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).