4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C12H14N6OS — CID 106898376

IUPAC4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCc1cccnn1
InChIInChI=1S/C12H14N6OS/c13-10-9(20-12(17-10)16-7-3-4-7)11(19)14-6-8-2-1-5-15-18-8/h1-2,5,7H,3-4,6,13H2,(H,14,19)(H,16,17)
InChIKeyRDQZBDCUNXWTGB-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.02
Rot. Bonds5

About 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 106898376) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID106898376
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCc1cccnn1
InChIInChI=1S/C12H14N6OS/c13-10-9(20-12(17-10)16-7-3-4-7)11(19)14-6-8-2-1-5-15-18-8/h1-2,5,7H,3-4,6,13H2,(H,14,19)(H,16,17)
InChIKeyRDQZBDCUNXWTGB-UHFFFAOYSA-N
XLogP1.02
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116669160
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671641
4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116670620
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 116671757
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103012934
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 114102698
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 106898376) is 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CC2)sc1C(=O)NCc1cccnn1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RDQZBDCUNXWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c13-10-9(20-12(17-10)16-7-3-4-7)11(19)14-6-8-2-1-5-15-18-8/h1-2,5,7H,3-4,6,13H2,(H,14,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106898376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).