N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide

C22H27N3OS — CID 5034381

IUPACN-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cs1
InChIInChI=1S/C22H27N3OS/c1-2-23-21-25-19(13-27-21)17-3-5-18(6-4-17)24-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,2,7-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyNYIVLASSXRLVNO-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.40
Rot. Bonds5

About N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide

N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide (PubChem CID 5034381) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide
PubChem CID5034381
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cs1
InChIInChI=1S/C22H27N3OS/c1-2-23-21-25-19(13-27-21)17-3-5-18(6-4-17)24-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,2,7-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyNYIVLASSXRLVNO-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 4577236
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(5S,7R)-3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 7948017
N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]adamantane-1-carboxamide
CID 51701060
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
(5R,7R)-3-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 98277662
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide (CID 5034381) is N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide is CCNc1nc(-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cs1.
What is the InChIKey of N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide?
The InChIKey is NYIVLASSXRLVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-2-23-21-25-19(13-27-21)17-3-5-18(6-4-17)24-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,2,7-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide?
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 5034381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).