1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one

C12H18N4OS — CID 134372370

IUPAC1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESC=C(N)Nc1nc2c(s1)CN(C(=O)C(C)C)CC2
InChIInChI=1S/C12H18N4OS/c1-7(2)11(17)16-5-4-9-10(6-16)18-12(15-9)14-8(3)13/h7H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyPZRHNRZJZJLAKV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one

1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one (PubChem CID 134372370) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one
PubChem CID134372370
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESC=C(N)Nc1nc2c(s1)CN(C(=O)C(C)C)CC2
InChIInChI=1S/C12H18N4OS/c1-7(2)11(17)16-5-4-9-10(6-16)18-12(15-9)14-8(3)13/h7H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyPZRHNRZJZJLAKV-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980982
N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 126818877
ethyl N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527899
2-ethyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108725524
1-[5-(aminocarbamothioyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 154659697
2-(propan-2-ylcarbamoylamino)-N-prop-2-enyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530154
2-methoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108725629
N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526439
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 92634184
tert-butyl 2-(propan-2-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62956988
(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530121

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one (CID 134372370) is 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one is C=C(N)Nc1nc2c(s1)CN(C(=O)C(C)C)CC2.
What is the InChIKey of 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one?
The InChIKey is PZRHNRZJZJLAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7(2)11(17)16-5-4-9-10(6-16)18-12(15-9)14-8(3)13/h7H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one?
1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one has a molecular weight of 266.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 134372370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).