2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile

C19H28N4OS — CID 155384400

IUPAC2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile
SMILESCC(C)(C)C1CCN(C(=O)C2(Nc3nc(C#N)cs3)CCCC2)CC1
InChIInChI=1S/C19H28N4OS/c1-18(2,3)14-6-10-23(11-7-14)16(24)19(8-4-5-9-19)22-17-21-15(12-20)13-25-17/h13-14H,4-11H2,1-3H3,(H,21,22)
InChIKeyMPUWSSJABVWZKC-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.02
Rot. Bonds3

About 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile

2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile (PubChem CID 155384400) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile
PubChem CID155384400
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile
SMILESCC(C)(C)C1CCN(C(=O)C2(Nc3nc(C#N)cs3)CCCC2)CC1
InChIInChI=1S/C19H28N4OS/c1-18(2,3)14-6-10-23(11-7-14)16(24)19(8-4-5-9-19)22-17-21-15(12-20)13-25-17/h13-14H,4-11H2,1-3H3,(H,21,22)
InChIKeyMPUWSSJABVWZKC-UHFFFAOYSA-N
XLogP4.02
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile (CID 155384400) is 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile is CC(C)(C)C1CCN(C(=O)C2(Nc3nc(C#N)cs3)CCCC2)CC1.
What is the InChIKey of 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile?
The InChIKey is MPUWSSJABVWZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-18(2,3)14-6-10-23(11-7-14)16(24)19(8-4-5-9-19)22-17-21-15(12-20)13-25-17/h13-14H,4-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile?
2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile has a molecular weight of 360.53 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-tert-butylpiperidine-1-carbonyl)cyclopentyl]amino]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 155384400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).