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

C12H13ClN2S2 — CID 81252291

IUPAC2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1csc(CNC2CCc3sc(Cl)cc32)n1
InChIInChI=1S/C12H13ClN2S2/c1-7-6-16-12(15-7)5-14-9-2-3-10-8(9)4-11(13)17-10/h4,6,9,14H,2-3,5H2,1H3
InChIKeyNFOSIQHHHGASCR-UHFFFAOYSA-N
MW284.84 g/mol
LogP3.94
Rot. Bonds3

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

2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252291) has the molecular formula C12H13ClN2S2 and a molecular weight of 284.84 g/mol. Its IUPAC name is 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252291
Molecular FormulaC12H13ClN2S2
Molecular Weight284.84 g/mol
Exact Mass284.02
IUPAC Name2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1csc(CNC2CCc3sc(Cl)cc32)n1
InChIInChI=1S/C12H13ClN2S2/c1-7-6-16-12(15-7)5-14-9-2-3-10-8(9)4-11(13)17-10/h4,6,9,14H,2-3,5H2,1H3
InChIKeyNFOSIQHHHGASCR-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689889
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54913172
2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 106899450
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252511
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2-methylpropane-1,2-diol
CID 81252412
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252394
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114536382
2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81253003
2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251743
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252291) is 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Cc1csc(CNC2CCc3sc(Cl)cc32)n1.
What is the InChIKey of 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is NFOSIQHHHGASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S2/c1-7-6-16-12(15-7)5-14-9-2-3-10-8(9)4-11(13)17-10/h4,6,9,14H,2-3,5H2,1H3.
What are the key properties of 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 284.84 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).