1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride

C12H21ClN4OS — CID 53406202

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
SMILESCC(C)(C)c1csc(NC(=O)NC2CCNC2)n1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)9-7-18-11(15-9)16-10(17)14-8-4-5-13-6-8;/h7-8,13H,4-6H2,1-3H3,(H2,14,15,16,17);1H
InChIKeyFWKJNQGHVJIROC-UHFFFAOYSA-N
MW304.85 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride (PubChem CID 53406202) has the molecular formula C12H21ClN4OS and a molecular weight of 304.85 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
PubChem CID53406202
Molecular FormulaC12H21ClN4OS
Molecular Weight304.85 g/mol
Exact Mass304.11
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
SMILESCC(C)(C)c1csc(NC(=O)NC2CCNC2)n1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)9-7-18-11(15-9)16-10(17)14-8-4-5-13-6-8;/h7-8,13H,4-6H2,1-3H3,(H2,14,15,16,17);1H
InChIKeyFWKJNQGHVJIROC-UHFFFAOYSA-N
XLogP2.35
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride (CID 53406202) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride is CC(C)(C)c1csc(NC(=O)NC2CCNC2)n1.Cl.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
The InChIKey is FWKJNQGHVJIROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS.ClH/c1-12(2,3)9-7-18-11(15-9)16-10(17)14-8-4-5-13-6-8;/h7-8,13H,4-6H2,1-3H3,(H2,14,15,16,17);1H.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride has a molecular weight of 304.85 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride is sourced from PubChem (CID 53406202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).