3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea

C15H23N3O3S — CID 122150546

IUPAC3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(Nc1nc(C2CC3CCC2C3)cs1)N(CCO)CCO
InChIInChI=1S/C15H23N3O3S/c19-5-3-18(4-6-20)15(21)17-14-16-13(9-22-14)12-8-10-1-2-11(12)7-10/h9-12,19-20H,1-8H2,(H,16,17,21)
InChIKeyKTJVYMMIPYQKOP-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.87
Rot. Bonds6

About 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea

3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 122150546) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID122150546
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(Nc1nc(C2CC3CCC2C3)cs1)N(CCO)CCO
InChIInChI=1S/C15H23N3O3S/c19-5-3-18(4-6-20)15(21)17-14-16-13(9-22-14)12-8-10-1-2-11(12)7-10/h9-12,19-20H,1-8H2,(H,16,17,21)
InChIKeyKTJVYMMIPYQKOP-UHFFFAOYSA-N
XLogP1.87
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 125138603
N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122145804
1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea
CID 110896761
N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide
CID 129344834
4-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]morpholine
CID 166218622
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111722532
(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98277438
(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
CID 167897147
1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580472
(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 110906790
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 5006386

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea (CID 122150546) is 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea is O=C(Nc1nc(C2CC3CCC2C3)cs1)N(CCO)CCO.
What is the InChIKey of 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is KTJVYMMIPYQKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-5-3-18(4-6-20)15(21)17-14-16-13(9-22-14)12-8-10-1-2-11(12)7-10/h9-12,19-20H,1-8H2,(H,16,17,21).
What are the key properties of 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea?
3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 325.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 122150546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).