1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

C20H24ClN3O2S — CID 112761977

IUPAC1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H24ClN3O2S/c21-16-5-3-15(4-6-16)20(7-1-2-8-20)18(25)23-19-22-17(14-27-19)13-24-9-11-26-12-10-24/h3-6,14H,1-2,7-13H2,(H,22,23,25)
InChIKeyUEKNYLRAPKWFFY-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 112761977) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID112761977
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H24ClN3O2S/c21-16-5-3-15(4-6-16)20(7-1-2-8-20)18(25)23-19-22-17(14-27-19)13-24-9-11-26-12-10-24/h3-6,14H,1-2,7-13H2,(H,22,23,25)
InChIKeyUEKNYLRAPKWFFY-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 78776007
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 30547785
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761980
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639856
1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide
CID 30548010
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (CID 112761977) is 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is UEKNYLRAPKWFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c21-16-5-3-15(4-6-16)20(7-1-2-8-20)18(25)23-19-22-17(14-27-19)13-24-9-11-26-12-10-24/h3-6,14H,1-2,7-13H2,(H,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 405.95 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112761977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).