1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

C12H17N3S2 — CID 79649514

IUPAC1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2nc(C)cs2)C1
InChIInChI=1S/C12H17N3S2/c1-3-14-12(8-13)5-4-10(6-12)17-11-15-9(2)7-16-11/h7,10,14H,3-6H2,1-2H3
InChIKeyZBQLDCKLTNVIGV-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.97
Rot. Bonds4

About 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (PubChem CID 79649514) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
PubChem CID79649514
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2nc(C)cs2)C1
InChIInChI=1S/C12H17N3S2/c1-3-14-12(8-13)5-4-10(6-12)17-11-15-9(2)7-16-11/h7,10,14H,3-6H2,1-2H3
InChIKeyZBQLDCKLTNVIGV-UHFFFAOYSA-N
XLogP2.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (CID 79649514) is 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Sc2nc(C)cs2)C1.
What is the InChIKey of 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The InChIKey is ZBQLDCKLTNVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-3-14-12(8-13)5-4-10(6-12)17-11-15-9(2)7-16-11/h7,10,14H,3-6H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile has a molecular weight of 267.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).