1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea

C19H24N4O2S — CID 72859271

IUPAC1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(NCC1(CN2CCOCC2)CC1)Nc1cccc(-c2cscn2)c1
InChIInChI=1S/C19H24N4O2S/c24-18(20-12-19(4-5-19)13-23-6-8-25-9-7-23)22-16-3-1-2-15(10-16)17-11-26-14-21-17/h1-3,10-11,14H,4-9,12-13H2,(H2,20,22,24)
InChIKeyZWZSIZUSKFOCAQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.04
Rot. Bonds6

About 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea

1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea (PubChem CID 72859271) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
PubChem CID72859271
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(NCC1(CN2CCOCC2)CC1)Nc1cccc(-c2cscn2)c1
InChIInChI=1S/C19H24N4O2S/c24-18(20-12-19(4-5-19)13-23-6-8-25-9-7-23)22-16-3-1-2-15(10-16)17-11-26-14-21-17/h1-3,10-11,14H,4-9,12-13H2,(H2,20,22,24)
InChIKeyZWZSIZUSKFOCAQ-UHFFFAOYSA-N
XLogP3.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea (CID 72859271) is 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea is O=C(NCC1(CN2CCOCC2)CC1)Nc1cccc(-c2cscn2)c1.
What is the InChIKey of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is ZWZSIZUSKFOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-18(20-12-19(4-5-19)13-23-6-8-25-9-7-23)22-16-3-1-2-15(10-16)17-11-26-14-21-17/h1-3,10-11,14H,4-9,12-13H2,(H2,20,22,24).
What are the key properties of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 372.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 72859271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).