N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide

C27H32N4O2S — CID 142392046

IUPACN-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
SMILESC[C@@H]1CN(c2ccc(C(=O)Nc3cccc(-c4csc(NC5CCCC5)n4)c3)cc2)C[C@H](C)O1
InChIInChI=1S/C27H32N4O2S/c1-18-15-31(16-19(2)33-18)24-12-10-20(11-13-24)26(32)28-23-9-5-6-21(14-23)25-17-34-27(30-25)29-22-7-3-4-8-22/h5-6,9-14,17-19,22H,3-4,7-8,15-16H2,1-2H3,(H,28,32)(H,29,30)/t18-,19+
InChIKeyXHKFEIHNCYVCPE-KDURUIRLSA-N
MW476.65 g/mol
LogP6.03
Rot. Bonds6

About N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide

N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide (PubChem CID 142392046) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
PubChem CID142392046
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC NameN-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
SMILESC[C@@H]1CN(c2ccc(C(=O)Nc3cccc(-c4csc(NC5CCCC5)n4)c3)cc2)C[C@H](C)O1
InChIInChI=1S/C27H32N4O2S/c1-18-15-31(16-19(2)33-18)24-12-10-20(11-13-24)26(32)28-23-9-5-6-21(14-23)25-17-34-27(30-25)29-22-7-3-4-8-22/h5-6,9-14,17-19,22H,3-4,7-8,15-16H2,1-2H3,(H,28,32)(H,29,30)/t18-,19+
InChIKeyXHKFEIHNCYVCPE-KDURUIRLSA-N
XLogP6.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]benzamide
CID 142392077
4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3688158
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3526507
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 42764148
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42764774
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
CID 5244736

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
The IUPAC name of N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide (CID 142392046) is N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide.
What is the SMILES notation for N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
The canonical SMILES for N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide is C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(-c4csc(NC5CCCC5)n4)c3)cc2)C[C@H](C)O1.
What is the InChIKey of N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
The InChIKey is XHKFEIHNCYVCPE-KDURUIRLSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-18-15-31(16-19(2)33-18)24-12-10-20(11-13-24)26(32)28-23-9-5-6-21(14-23)25-17-34-27(30-25)29-22-7-3-4-8-22/h5-6,9-14,17-19,22H,3-4,7-8,15-16H2,1-2H3,(H,28,32)(H,29,30)/t18-,19+.
What are the key properties of N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide has a molecular weight of 476.65 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide is sourced from PubChem (CID 142392046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).