N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine

C14H17N3S — CID 82452260

IUPACN-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc3c(nc2C)CCC3)cs1
InChIInChI=1S/C14H17N3S/c1-3-15-14-17-13(8-18-14)11-7-10-5-4-6-12(10)16-9(11)2/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyPTRCWKYRTVCERE-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.43
Rot. Bonds3

About N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine

N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 82452260) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID82452260
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc3c(nc2C)CCC3)cs1
InChIInChI=1S/C14H17N3S/c1-3-15-14-17-13(8-18-14)11-7-10-5-4-6-12(10)16-9(11)2/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyPTRCWKYRTVCERE-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
N-ethyl-4-(5-methylthiophen-3-yl)-1,3-thiazol-2-amine
CID 131181990
N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine
CID 82452304
4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 82774650
N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82448532
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
4-butyl-3-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1H-1,2,4-triazole-5-thione
CID 82452245
N-ethyl-4-(9H-fluoren-2-yl)-1,3-thiazol-2-amine
CID 63472982
3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523299
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
CID 82452222
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 82528750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine (CID 82452260) is N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine is CCNc1nc(-c2cc3c(nc2C)CCC3)cs1.
What is the InChIKey of N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is PTRCWKYRTVCERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-15-14-17-13(8-18-14)11-7-10-5-4-6-12(10)16-9(11)2/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine?
N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82452260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).