3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C14H23N3O2S — CID 110922256

IUPAC3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)c1nc(CNC(=O)N(CCO)C2CC2)cs1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)12-16-10(9-20-12)8-15-13(19)17(6-7-18)11-4-5-11/h9,11,18H,4-8H2,1-3H3,(H,15,19)
InChIKeyNSGFUIIDNUWNOX-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.11
Rot. Bonds5

About 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110922256) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110922256
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)c1nc(CNC(=O)N(CCO)C2CC2)cs1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)12-16-10(9-20-12)8-15-13(19)17(6-7-18)11-4-5-11/h9,11,18H,4-8H2,1-3H3,(H,15,19)
InChIKeyNSGFUIIDNUWNOX-UHFFFAOYSA-N
XLogP2.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111104255
2-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102865455
methyl 1-[N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252491
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977158
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529638
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methyl-1-(4-phenylbutyl)urea
CID 86880064
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
CID 111619363
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110922256) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is CC(C)(C)c1nc(CNC(=O)N(CCO)C2CC2)cs1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is NSGFUIIDNUWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,3)12-16-10(9-20-12)8-15-13(19)17(6-7-18)11-4-5-11/h9,11,18H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 297.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110922256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).