1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea

C18H26N4OS — CID 46947891

IUPAC1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
SMILESCC(C)C(N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C18H26N4OS/c1-11(2)15(19)14-10-24-17(21-14)22-16(23)20-13-9-7-6-8-12(13)18(3,4)5/h6-11,15H,19H2,1-5H3,(H2,20,21,22,23)
InChIKeyKOYCNAVLCJMBIH-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.74
Rot. Bonds4

About 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea

1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea (PubChem CID 46947891) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea.

Molecular Properties

Compound Name1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
PubChem CID46947891
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
SMILESCC(C)C(N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C18H26N4OS/c1-11(2)15(19)14-10-24-17(21-14)22-16(23)20-13-9-7-6-8-12(13)18(3,4)5/h6-11,15H,19H2,1-5H3,(H2,20,21,22,23)
InChIKeyKOYCNAVLCJMBIH-UHFFFAOYSA-N
XLogP4.74
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
CID 46943777
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
CID 64543045
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
CID 110491780
1-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-3-(2-propan-2-ylphenyl)urea
CID 46948096
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
The IUPAC name of 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea (CID 46947891) is 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea.
What is the SMILES notation for 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
The canonical SMILES for 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea is CC(C)C(N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
The InChIKey is KOYCNAVLCJMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-11(2)15(19)14-10-24-17(21-14)22-16(23)20-13-9-7-6-8-12(13)18(3,4)5/h6-11,15H,19H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea has a molecular weight of 346.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea is sourced from PubChem (CID 46947891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).