N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide

C24H22ClN5O2S — CID 66786155

IUPACN-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESNC1(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1NC(=O)c1ncc(-c2ccncc2)s1
InChIInChI=1S/C24H22ClN5O2S/c25-16-4-5-17-15(11-16)12-18(29-17)21(31)24(26)8-2-1-3-20(24)30-22(32)23-28-13-19(33-23)14-6-9-27-10-7-14/h4-7,9-13,20,29H,1-3,8,26H2,(H,30,32)
InChIKeyYLLIOZFGSAVKJI-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.59
Rot. Bonds5

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide (PubChem CID 66786155) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
PubChem CID66786155
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC NameN-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESNC1(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1NC(=O)c1ncc(-c2ccncc2)s1
InChIInChI=1S/C24H22ClN5O2S/c25-16-4-5-17-15(11-16)12-18(29-17)21(31)24(26)8-2-1-3-20(24)30-22(32)23-28-13-19(33-23)14-6-9-27-10-7-14/h4-7,9-13,20,29H,1-3,8,26H2,(H,30,32)
InChIKeyYLLIOZFGSAVKJI-UHFFFAOYSA-N
XLogP4.59
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 66785735
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 66786586
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 66787094
tert-butyl 1-amino-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 66785253
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 152720436
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66785603
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(methoxymethyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786194
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 66785428
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 152755282
lithium;N-[2-amino-1-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydride
CID 173052136
5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide
CID 118425240
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786644

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide (CID 66786155) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide is NC1(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1NC(=O)c1ncc(-c2ccncc2)s1.
What is the InChIKey of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The InChIKey is YLLIOZFGSAVKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c25-16-4-5-17-15(11-16)12-18(29-17)21(31)24(26)8-2-1-3-20(24)30-22(32)23-28-13-19(33-23)14-6-9-27-10-7-14/h4-7,9-13,20,29H,1-3,8,26H2,(H,30,32).
What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide?
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide has a molecular weight of 479.99 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-pyridin-4-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66786155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).