N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide

C15H18N4OS2 — CID 155282722

IUPACN'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide
SMILESCNNC(=O)C1CSC(c2nc3ccc(C(C)C)cc3s2)=N1
InChIInChI=1S/C15H18N4OS2/c1-8(2)9-4-5-10-12(6-9)22-15(17-10)14-18-11(7-21-14)13(20)19-16-3/h4-6,8,11,16H,7H2,1-3H3,(H,19,20)
InChIKeyFGKNAUQVTUMRNC-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.53
Rot. Bonds4

About N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide

N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide (PubChem CID 155282722) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide
PubChem CID155282722
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC NameN'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide
SMILESCNNC(=O)C1CSC(c2nc3ccc(C(C)C)cc3s2)=N1
InChIInChI=1S/C15H18N4OS2/c1-8(2)9-4-5-10-12(6-9)22-15(17-10)14-18-11(7-21-14)13(20)19-16-3/h4-6,8,11,16H,7H2,1-3H3,(H,19,20)
InChIKeyFGKNAUQVTUMRNC-UHFFFAOYSA-N
XLogP2.53
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide (CID 155282722) is N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide is CNNC(=O)C1CSC(c2nc3ccc(C(C)C)cc3s2)=N1.
What is the InChIKey of N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide?
The InChIKey is FGKNAUQVTUMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-8(2)9-4-5-10-12(6-9)22-15(17-10)14-18-11(7-21-14)13(20)19-16-3/h4-6,8,11,16H,7H2,1-3H3,(H,19,20).
What are the key properties of N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide?
N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide has a molecular weight of 334.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 155282722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).