N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C12H18N4S — CID 114253744

IUPACN-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCc1cc(NC2=NC3CCCC3CS2)nn1C
InChIInChI=1S/C12H18N4S/c1-8-6-11(15-16(8)2)14-12-13-10-5-3-4-9(10)7-17-12/h6,9-10H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZZQJMKDBSAEUQV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.41
Rot. Bonds1

About N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 114253744) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID114253744
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCc1cc(NC2=NC3CCCC3CS2)nn1C
InChIInChI=1S/C12H18N4S/c1-8-6-11(15-16(8)2)14-12-13-10-5-3-4-9(10)7-17-12/h6,9-10H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZZQJMKDBSAEUQV-UHFFFAOYSA-N
XLogP2.41
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 114253744) is N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is Cc1cc(NC2=NC3CCCC3CS2)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is ZZQJMKDBSAEUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-6-11(15-16(8)2)14-12-13-10-5-3-4-9(10)7-17-12/h6,9-10H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 114253744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).