(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate

C12H11N5O2S — CID 139547985

IUPAC(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)c1csc(NC(=O)Oc2ccc(C#N)nn2)n1
InChIInChI=1S/C12H11N5O2S/c1-7(2)9-6-20-11(14-9)15-12(18)19-10-4-3-8(5-13)16-17-10/h3-4,6-7H,1-2H3,(H,14,15,18)
InChIKeyKTLORXGEWQDILP-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.54
Rot. Bonds3

About (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate

(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 139547985) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
PubChem CID139547985
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)c1csc(NC(=O)Oc2ccc(C#N)nn2)n1
InChIInChI=1S/C12H11N5O2S/c1-7(2)9-6-20-11(14-9)15-12(18)19-10-4-3-8(5-13)16-17-10/h3-4,6-7H,1-2H3,(H,14,15,18)
InChIKeyKTLORXGEWQDILP-UHFFFAOYSA-N
XLogP2.54
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate
CID 139547984
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
(6-cyanopyridazin-3-yl) (4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonate
CID 139548248
1-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 61461950
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
CID 54959134
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
CID 110491780

Frequently Asked Questions

What is the IUPAC name of (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate (CID 139547985) is (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate is CC(C)c1csc(NC(=O)Oc2ccc(C#N)nn2)n1.
What is the InChIKey of (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is KTLORXGEWQDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-7(2)9-6-20-11(14-9)15-12(18)19-10-4-3-8(5-13)16-17-10/h3-4,6-7H,1-2H3,(H,14,15,18).
What are the key properties of (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 289.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 139547985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).