1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

C16H21N3OS — CID 95760758

IUPAC1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCN(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-4-19(5-2)16(20)17-12(3)15-18-14(11-21-15)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyYLCBLQPPGCRYSO-LBPRGKRZSA-N
MW303.43 g/mol
LogP3.92
Rot. Bonds5

About 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95760758) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID95760758
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCN(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-4-19(5-2)16(20)17-12(3)15-18-14(11-21-15)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyYLCBLQPPGCRYSO-LBPRGKRZSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95314518
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
(2R)-2-(cyclopropylmethoxy)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 95291640
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031112

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (CID 95760758) is 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is CCN(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is YLCBLQPPGCRYSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-19(5-2)16(20)17-12(3)15-18-14(11-21-15)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 303.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95760758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).