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

C15H27N3O2S — CID 111104399

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H27N3O2S/c1-6-15(20,7-2)10-17-13(19)16-8-12-18-11(9-21-12)14(3,4)5/h9,20H,6-8,10H2,1-5H3,(H2,16,17,19)
InChIKeyCPVPQPNYERRAAS-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.79
Rot. Bonds6

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 111104399) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID111104399
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H27N3O2S/c1-6-15(20,7-2)10-17-13(19)16-8-12-18-11(9-21-12)14(3,4)5/h9,20H,6-8,10H2,1-5H3,(H2,16,17,19)
InChIKeyCPVPQPNYERRAAS-UHFFFAOYSA-N
XLogP2.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 71867529
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
2-[(3-methylpentan-3-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 106330610
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethylpentan-2-one
CID 115786943
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119878896
2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111839093
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea (CID 111104399) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)NCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is CPVPQPNYERRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-15(20,7-2)10-17-13(19)16-8-12-18-11(9-21-12)14(3,4)5/h9,20H,6-8,10H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 313.47 g/mol, XLogP of 2.79, 6 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)methyl]-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 111104399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).