2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide

C12H15N3O3S — CID 166201928

IUPAC2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1csc(C2CC2)n1
InChIInChI=1S/C12H15N3O3S/c16-10(8-6-19-12(13-8)7-3-4-7)14-15-11(17)9-2-1-5-18-9/h6-7,9H,1-5H2,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKeyRWMDTWSDIMYZAN-VIFPVBQESA-N
MW281.34 g/mol
LogP0.96
Rot. Bonds3

About 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide

2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 166201928) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide
PubChem CID166201928
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1csc(C2CC2)n1
InChIInChI=1S/C12H15N3O3S/c16-10(8-6-19-12(13-8)7-3-4-7)14-15-11(17)9-2-1-5-18-9/h6-7,9H,1-5H2,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKeyRWMDTWSDIMYZAN-VIFPVBQESA-N
XLogP0.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide
CID 166235775
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 99645088
6-chloro-N'-(oxane-2-carbonyl)pyridazine-3-carbohydrazide
CID 166432062
N'-(pyridine-4-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3248199
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 84590927
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109476494
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide (CID 166201928) is 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCO1)c1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is RWMDTWSDIMYZAN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-10(8-6-19-12(13-8)7-3-4-7)14-15-11(17)9-2-1-5-18-9/h6-7,9H,1-5H2,(H,14,16)(H,15,17)/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide?
2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 281.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 166201928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).