1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea

C14H17N3O2S — CID 61466520

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1nc(NC(=O)Nc2cccc(C(C)O)c2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-8-10(3)20-14(15-8)17-13(19)16-12-6-4-5-11(7-12)9(2)18/h4-7,9,18H,1-3H3,(H2,15,16,17,19)
InChIKeyGHNUMQFDAXNFMT-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.46
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61466520) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61466520
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1nc(NC(=O)Nc2cccc(C(C)O)c2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-8-10(3)20-14(15-8)17-13(19)16-12-6-4-5-11(7-12)9(2)18/h4-7,9,18H,1-3H3,(H2,15,16,17,19)
InChIKeyGHNUMQFDAXNFMT-UHFFFAOYSA-N
XLogP3.46
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
CID 61465850
1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea
CID 155669052
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501440
(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 36770876
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61466520) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea is Cc1nc(NC(=O)Nc2cccc(C(C)O)c2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is GHNUMQFDAXNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-10(3)20-14(15-8)17-13(19)16-12-6-4-5-11(7-12)9(2)18/h4-7,9,18H,1-3H3,(H2,15,16,17,19).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 291.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61466520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).