(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

C16H14N4S — CID 59242717

IUPAC(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2ccsn2)C[C@H](N)C1
InChIInChI=1S/C16H14N4S/c17-8-10-1-2-15-13(5-10)14-6-11(18)7-16(14)20(15)9-12-3-4-21-19-12/h1-5,11H,6-7,9,18H2/t11-/m1/s1
InChIKeyGDZIWQLOALRQAA-LLVKDONJSA-N
MW294.38 g/mol
LogP2.44
Rot. Bonds2

About (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (PubChem CID 59242717) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.

Molecular Properties

Compound Name(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
PubChem CID59242717
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2ccsn2)C[C@H](N)C1
InChIInChI=1S/C16H14N4S/c17-8-10-1-2-15-13(5-10)14-6-11(18)7-16(14)20(15)9-12-3-4-21-19-12/h1-5,11H,6-7,9,18H2/t11-/m1/s1
InChIKeyGDZIWQLOALRQAA-LLVKDONJSA-N
XLogP2.44
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 142352015
[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid
CID 68533390
2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 59242706
propan-2-yl 2-[(2S)-7-cyano-4-[(3-methoxy-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]acetate
CID 58149406
[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
CID 150832588
4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 141204030
propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
CID 156811582
propan-2-yl 2-[(2S)-7-cyano-4-[(5-fluoro-2-hydroxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]acetate
CID 58149401
N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 67200866
N-[9-[(5-chlorothiophen-2-yl)methyl]-6-cyano-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 59161214
propan-2-yl N-[4-[(3-bromo-4-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 66933640
propan-2-yl 2-[(2S)-7-cyano-4-[[(2R,3R)-3-hydroxy-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]acetate
CID 58149396

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The IUPAC name of (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (CID 59242717) is (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.
What is the SMILES notation for (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The canonical SMILES for (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is N#Cc1ccc2c(c1)c1c(n2Cc2ccsn2)C[C@H](N)C1.
What is the InChIKey of (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The InChIKey is GDZIWQLOALRQAA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14N4S/c17-8-10-1-2-15-13(5-10)14-6-11(18)7-16(14)20(15)9-12-3-4-21-19-12/h1-5,11H,6-7,9,18H2/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile has a molecular weight of 294.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is sourced from PubChem (CID 59242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).