N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide

C18H32N4OS — CID 91833958

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1nc(CCCNC(=O)CCC(C)N2CCN(C)CC2)sc1C
InChIInChI=1S/C18H32N4OS/c1-14(22-12-10-21(4)11-13-22)7-8-17(23)19-9-5-6-18-20-15(2)16(3)24-18/h14H,5-13H2,1-4H3,(H,19,23)
InChIKeyULCMSXWBKWDNFX-UHFFFAOYSA-N
MW352.55 g/mol
LogP2.22
Rot. Bonds8

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 91833958) has the molecular formula C18H32N4OS and a molecular weight of 352.55 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
PubChem CID91833958
Molecular FormulaC18H32N4OS
Molecular Weight352.55 g/mol
Exact Mass352.23
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1nc(CCCNC(=O)CCC(C)N2CCN(C)CC2)sc1C
InChIInChI=1S/C18H32N4OS/c1-14(22-12-10-21(4)11-13-22)7-8-17(23)19-9-5-6-18-20-15(2)16(3)24-18/h14H,5-13H2,1-4H3,(H,19,23)
InChIKeyULCMSXWBKWDNFX-UHFFFAOYSA-N
XLogP2.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 118795070
(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
CID 126452069
4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 91764415
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 122556918
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethoxypropanamide
CID 119061685
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70736278
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91836065
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 91760478
(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide
CID 124752605

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide (CID 91833958) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide is Cc1nc(CCCNC(=O)CCC(C)N2CCN(C)CC2)sc1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is ULCMSXWBKWDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4OS/c1-14(22-12-10-21(4)11-13-22)7-8-17(23)19-9-5-6-18-20-15(2)16(3)24-18/h14H,5-13H2,1-4H3,(H,19,23).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 352.55 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 91833958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).