1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea

C15H25N5O2S — CID 95128912

IUPAC1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NC[C@H]1CCN(CCN2CCOCC2)C1)Nc1nccs1
InChIInChI=1S/C15H25N5O2S/c21-14(18-15-16-2-10-23-15)17-11-13-1-3-20(12-13)5-4-19-6-8-22-9-7-19/h2,10,13H,1,3-9,11-12H2,(H2,16,17,18,21)/t13-/m1/s1
InChIKeyNJDPBVGFKNVBBG-CYBMUJFWSA-N
MW339.47 g/mol
LogP0.92
Rot. Bonds6

About 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea

1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 95128912) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID95128912
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NC[C@H]1CCN(CCN2CCOCC2)C1)Nc1nccs1
InChIInChI=1S/C15H25N5O2S/c21-14(18-15-16-2-10-23-15)17-11-13-1-3-20(12-13)5-4-19-6-8-22-9-7-19/h2,10,13H,1,3-9,11-12H2,(H2,16,17,18,21)/t13-/m1/s1
InChIKeyNJDPBVGFKNVBBG-CYBMUJFWSA-N
XLogP0.92
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
CID 97073055
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 42769972
1-(5-methyl-1,3-thiazol-2-yl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 136522981
1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 71910482
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 129378110
(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525579
N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 88759235
4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]methyl]-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 23601987
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide
CID 160567765

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 95128912) is 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea is O=C(NC[C@H]1CCN(CCN2CCOCC2)C1)Nc1nccs1.
What is the InChIKey of 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NJDPBVGFKNVBBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O2S/c21-14(18-15-16-2-10-23-15)17-11-13-1-3-20(12-13)5-4-19-6-8-22-9-7-19/h2,10,13H,1,3-9,11-12H2,(H2,16,17,18,21)/t13-/m1/s1.
What are the key properties of 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 339.47 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 95128912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).