1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C12H19N3O2S — CID 71867996

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)N(CCO)C2CC2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-8-14-11(18-9)4-5-13-12(17)15(6-7-16)10-2-3-10/h8,10,16H,2-7H2,1H3,(H,13,17)
InChIKeyNFNFRXCKCMHNAK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.16
Rot. Bonds6

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71867996) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71867996
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)N(CCO)C2CC2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-8-14-11(18-9)4-5-13-12(17)15(6-7-16)10-2-3-10/h8,10,16H,2-7H2,1H3,(H,13,17)
InChIKeyNFNFRXCKCMHNAK-UHFFFAOYSA-N
XLogP1.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111508866
1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75378361
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
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1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111104255
N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103828140
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110746479
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111631178
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868469
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71867996) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)N(CCO)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is NFNFRXCKCMHNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-8-14-11(18-9)4-5-13-12(17)15(6-7-16)10-2-3-10/h8,10,16H,2-7H2,1H3,(H,13,17).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 269.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71867996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).