N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

C17H26N4O3S — CID 55591159

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)N2CCN(C(=O)C3CCCO3)CC2)sc1C
InChIInChI=1S/C17H26N4O3S/c1-11-13(3)25-17(18-11)19-15(22)12(2)20-6-8-21(9-7-20)16(23)14-5-4-10-24-14/h12,14H,4-10H2,1-3H3,(H,18,19,22)
InChIKeyRMQZJEASSWWXJY-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.41
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 55591159) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID55591159
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)N2CCN(C(=O)C3CCCO3)CC2)sc1C
InChIInChI=1S/C17H26N4O3S/c1-11-13(3)25-17(18-11)19-15(22)12(2)20-6-8-21(9-7-20)16(23)14-5-4-10-24-14/h12,14H,4-10H2,1-3H3,(H,18,19,22)
InChIKeyRMQZJEASSWWXJY-UHFFFAOYSA-N
XLogP1.41
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309513
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 51077604
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 55841176
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 55850550
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
methyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate
CID 55486707
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 166181261

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide (CID 55591159) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide is Cc1nc(NC(=O)C(C)N2CCN(C(=O)C3CCCO3)CC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is RMQZJEASSWWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-11-13(3)25-17(18-11)19-15(22)12(2)20-6-8-21(9-7-20)16(23)14-5-4-10-24-14/h12,14H,4-10H2,1-3H3,(H,18,19,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 366.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55591159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).