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'}

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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).