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

C15H19N3O2S — CID 63836669

IUPAC3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CN(C)C(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H19N3O2S/c1-10-14(21-9-16-10)8-18(3)15(20)17-13-6-4-12(5-7-13)11(2)19/h4-7,9,11,19H,8H2,1-3H3,(H,17,20)
InChIKeyAESBHTUMHWBFEQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.17
Rot. Bonds4

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

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 63836669) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID63836669
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CN(C)C(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H19N3O2S/c1-10-14(21-9-16-10)8-18(3)15(20)17-13-6-4-12(5-7-13)11(2)19/h4-7,9,11,19H,8H2,1-3H3,(H,17,20)
InChIKeyAESBHTUMHWBFEQ-UHFFFAOYSA-N
XLogP3.17
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63823278
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
2-amino-N-methyl-2-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 106151711
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-sulfanylbutanamide
CID 107030171
4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 77009501
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
CID 61347436
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 63836669) is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CN(C)C(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is AESBHTUMHWBFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-14(21-9-16-10)8-18(3)15(20)17-13-6-4-12(5-7-13)11(2)19/h4-7,9,11,19H,8H2,1-3H3,(H,17,20).
What are the key properties of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 63836669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).