(2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C17H25N5OS — CID 95160014

IUPAC(2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-14(15(23)20-17(13-18)5-3-2-4-6-17)21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12,14H,2-6,8-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyNQGHWTDYFFTTOU-AWEZNQCLSA-N
MW347.49 g/mol
LogP2.00
Rot. Bonds4

About (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

(2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 95160014) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID95160014
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-14(15(23)20-17(13-18)5-3-2-4-6-17)21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12,14H,2-6,8-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyNQGHWTDYFFTTOU-AWEZNQCLSA-N
XLogP2.00
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 95160014) is (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is NQGHWTDYFFTTOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-14(15(23)20-17(13-18)5-3-2-4-6-17)21-8-10-22(11-9-21)16-19-7-12-24-16/h7,12,14H,2-6,8-11H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
(2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 347.49 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyanocyclohexyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 95160014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).