N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide

C12H15N5OS2 — CID 133305779

IUPACN-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCSc1nc2ncnc(NCCNC(=O)C3CC3)c2s1
InChIInChI=1S/C12H15N5OS2/c1-19-12-17-10-8(20-12)9(15-6-16-10)13-4-5-14-11(18)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyYAHCPRREJPFFAY-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 133305779) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID133305779
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC NameN-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCSc1nc2ncnc(NCCNC(=O)C3CC3)c2s1
InChIInChI=1S/C12H15N5OS2/c1-19-12-17-10-8(20-12)9(15-6-16-10)13-4-5-14-11(18)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyYAHCPRREJPFFAY-UHFFFAOYSA-N
XLogP1.75
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide with MolForge

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Related Compounds

methyl 3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]propanoate
CID 133425064
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481443
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
N-[2-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 32956182
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113481404
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700
N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 75443178

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide (CID 133305779) is N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide is CSc1nc2ncnc(NCCNC(=O)C3CC3)c2s1.
What is the InChIKey of N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is YAHCPRREJPFFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-19-12-17-10-8(20-12)9(15-6-16-10)13-4-5-14-11(18)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,18)(H,13,15,16).
What are the key properties of N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 309.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 133305779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).