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

C16H20N4O2S — CID 88996925

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCc1nc(NC(=O)NCCOCC2CC2)sc1-c1cccnc1
InChIInChI=1S/C16H20N4O2S/c1-11-14(13-3-2-6-17-9-13)23-16(19-11)20-15(21)18-7-8-22-10-12-4-5-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,18,19,20,21)
InChIKeyPPSRZMGZWYUCMR-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.06
Rot. Bonds7

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

1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 88996925) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID88996925
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCc1nc(NC(=O)NCCOCC2CC2)sc1-c1cccnc1
InChIInChI=1S/C16H20N4O2S/c1-11-14(13-3-2-6-17-9-13)23-16(19-11)20-15(21)18-7-8-22-10-12-4-5-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,18,19,20,21)
InChIKeyPPSRZMGZWYUCMR-UHFFFAOYSA-N
XLogP3.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)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-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea
CID 88996815
N-[2-[(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 88996783
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(3-ethylidene-6-methoxyhept-4-en-1-ynyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 91592460
1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea
CID 52919494
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 110665959
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 88996672
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
3-[[2-(cyclopropylmethoxy)acetyl]amino]-N-pyridin-3-ylpropanamide
CID 167813962
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839776
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 88996925) is 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea is Cc1nc(NC(=O)NCCOCC2CC2)sc1-c1cccnc1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is PPSRZMGZWYUCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-14(13-3-2-6-17-9-13)23-16(19-11)20-15(21)18-7-8-22-10-12-4-5-12/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 332.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88996925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).