N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide

C17H28N4O2S — CID 139263977

IUPACN-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C17H28N4O2S/c22-16(20-14-5-3-1-2-4-6-14)15-13-19-17(24-15)18-7-8-21-9-11-23-12-10-21/h13-14H,1-12H2,(H,18,19)(H,20,22)
InChIKeyPUUNSSFYYULVPW-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.34
Rot. Bonds6

About N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide

N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 139263977) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
PubChem CID139263977
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C17H28N4O2S/c22-16(20-14-5-3-1-2-4-6-14)15-13-19-17(24-15)18-7-8-21-9-11-23-12-10-21/h13-14H,1-12H2,(H,18,19)(H,20,22)
InChIKeyPUUNSSFYYULVPW-UHFFFAOYSA-N
XLogP2.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
2-amino-N-methyl-N-(4-morpholin-4-ylbutyl)-1,3-thiazole-5-carboxamide
CID 124218298
(E)-4-fluoro-N-[(1R,2S,3R,5S)-2-fluoro-8-[2-(prop-2-enylamino)-1,3-thiazole-5-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]but-2-enamide
CID 166375120
2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080482
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117080578
N-cyclopropyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117081630
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 117081754
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082139
2-(ethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082667
2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 117082836
N-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117083121

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide (CID 139263977) is N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide is O=C(NC1CCCCCC1)c1cnc(NCCN2CCOCC2)s1.
What is the InChIKey of N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is PUUNSSFYYULVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c22-16(20-14-5-3-1-2-4-6-14)15-13-19-17(24-15)18-7-8-21-9-11-23-12-10-21/h13-14H,1-12H2,(H,18,19)(H,20,22).
What are the key properties of N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?
N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139263977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).