1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea

C17H22N4O2S — CID 88996672

IUPAC1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESCc1nc(NC(=O)NCCC2CCCCO2)sc1-c1ccncc1
InChIInChI=1S/C17H22N4O2S/c1-12-15(13-5-8-18-9-6-13)24-17(20-12)21-16(22)19-10-7-14-4-2-3-11-23-14/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyYTIJUKMDSPMISE-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea

1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 88996672) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID88996672
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
SMILESCc1nc(NC(=O)NCCC2CCCCO2)sc1-c1ccncc1
InChIInChI=1S/C17H22N4O2S/c1-12-15(13-5-8-18-9-6-13)24-17(20-12)21-16(22)19-10-7-14-4-2-3-11-23-14/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyYTIJUKMDSPMISE-UHFFFAOYSA-N
XLogP3.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 11348865
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518600
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
1-[(6-methyl-3-pyridinyl)methyl]-3-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97346210
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 88996925
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
CID 132971003
methyl 4-[2-[[3-(2,2-difluoroethylamino)-3-oxopropyl]carbamoylamino]-4-methyl-1,3-thiazol-5-yl]benzoate
CID 23585003

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea (CID 88996672) is 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea is Cc1nc(NC(=O)NCCC2CCCCO2)sc1-c1ccncc1.
What is the InChIKey of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is YTIJUKMDSPMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-15(13-5-8-18-9-6-13)24-17(20-12)21-16(22)19-10-7-14-4-2-3-11-23-14/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea?
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 346.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 88996672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).