1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea

C15H20N4OS — CID 75494712

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea
SMILESCc1cnc(C(C)(C)NC(=O)NC(C)c2cccnc2)s1
InChIInChI=1S/C15H20N4OS/c1-10-8-17-13(21-10)15(3,4)19-14(20)18-11(2)12-6-5-7-16-9-12/h5-9,11H,1-4H3,(H2,18,19,20)
InChIKeyNKDYRVIDWHAWQP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea

1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea (PubChem CID 75494712) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea
PubChem CID75494712
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea
SMILESCc1cnc(C(C)(C)NC(=O)NC(C)c2cccnc2)s1
InChIInChI=1S/C15H20N4OS/c1-10-8-17-13(21-10)15(3,4)19-14(20)18-11(2)12-6-5-7-16-9-12/h5-9,11H,1-4H3,(H2,18,19,20)
InChIKeyNKDYRVIDWHAWQP-UHFFFAOYSA-N
XLogP3.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea with MolForge

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 111861043
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
2,2-dimethyl-4-oxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanoic acid
CID 81407790
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
3,3-dimethyl-5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407118
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
ethyl 2,2-dimethyl-4-oxo-4-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 124737622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea (CID 75494712) is 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea is Cc1cnc(C(C)(C)NC(=O)NC(C)c2cccnc2)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea?
The InChIKey is NKDYRVIDWHAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-8-17-13(21-10)15(3,4)19-14(20)18-11(2)12-6-5-7-16-9-12/h5-9,11H,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea?
1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 75494712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).