N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide

C17H28N4OS — CID 134052875

IUPACN-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCCCc1nc(CN2CCN(C(C)C(=O)NC3CC3)CC2)cs1
InChIInChI=1S/C17H28N4OS/c1-3-4-16-18-15(12-23-16)11-20-7-9-21(10-8-20)13(2)17(22)19-14-5-6-14/h12-14H,3-11H2,1-2H3,(H,19,22)
InChIKeyGWWAVERMYCOMIF-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.88
Rot. Bonds7

About N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 134052875) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
PubChem CID134052875
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCCCc1nc(CN2CCN(C(C)C(=O)NC3CC3)CC2)cs1
InChIInChI=1S/C17H28N4OS/c1-3-4-16-18-15(12-23-16)11-20-7-9-21(10-8-20)13(2)17(22)19-14-5-6-14/h12-14H,3-11H2,1-2H3,(H,19,22)
InChIKeyGWWAVERMYCOMIF-UHFFFAOYSA-N
XLogP1.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51941289
N-cyclopropyl-2-[4-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 78831738
N-cyclopropyl-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 51339316
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63848766
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (CID 134052875) is N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is CCCc1nc(CN2CCN(C(C)C(=O)NC3CC3)CC2)cs1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is GWWAVERMYCOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-4-16-18-15(12-23-16)11-20-7-9-21(10-8-20)13(2)17(22)19-14-5-6-14/h12-14H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 336.51 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 134052875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).