4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile

C14H20ClN3S — CID 106595689

IUPAC4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
SMILESCC(C)CC1(CNc2nc(Cl)c(C#N)s2)CCCC1
InChIInChI=1S/C14H20ClN3S/c1-10(2)7-14(5-3-4-6-14)9-17-13-18-12(15)11(8-16)19-13/h10H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyNTYMYCUDGAGSLL-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.69
Rot. Bonds5

About 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile (PubChem CID 106595689) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
PubChem CID106595689
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
SMILESCC(C)CC1(CNc2nc(Cl)c(C#N)s2)CCCC1
InChIInChI=1S/C14H20ClN3S/c1-10(2)7-14(5-3-4-6-14)9-17-13-18-12(15)11(8-16)19-13/h10H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyNTYMYCUDGAGSLL-UHFFFAOYSA-N
XLogP4.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile (CID 106595689) is 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile is CC(C)CC1(CNc2nc(Cl)c(C#N)s2)CCCC1.
What is the InChIKey of 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile?
The InChIKey is NTYMYCUDGAGSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-10(2)7-14(5-3-4-6-14)9-17-13-18-12(15)11(8-16)19-13/h10H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile has a molecular weight of 297.86 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).