1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

C16H26N4O2S — CID 125437870

IUPAC1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@@H](c1nccs1)N(C)C(=O)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(14-17-5-10-23-14)19(2)15(21)18-11-16(3-4-16)12-20-6-8-22-9-7-20/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyCVTORMHRGZIBHI-ZDUSSCGKSA-N
MW338.48 g/mol
LogP1.96
Rot. Bonds6

About 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 125437870) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID125437870
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@@H](c1nccs1)N(C)C(=O)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-13(14-17-5-10-23-14)19(2)15(21)18-11-16(3-4-16)12-20-6-8-22-9-7-20/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyCVTORMHRGZIBHI-ZDUSSCGKSA-N
XLogP1.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 125437870) is 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is C[C@@H](c1nccs1)N(C)C(=O)NCC1(CN2CCOCC2)CC1.
What is the InChIKey of 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is CVTORMHRGZIBHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13(14-17-5-10-23-14)19(2)15(21)18-11-16(3-4-16)12-20-6-8-22-9-7-20/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 338.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 125437870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).