N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H20N4S — CID 114252324

IUPACN-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCn1ccc(NC2=NC(C(C)C)CCS2)n1
InChIInChI=1S/C12H20N4S/c1-4-16-7-5-11(15-16)14-12-13-10(9(2)3)6-8-17-12/h5,7,9-10H,4,6,8H2,1-3H3,(H,13,14,15)
InChIKeyNACGTFSISARLBR-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.83
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114252324) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114252324
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCn1ccc(NC2=NC(C(C)C)CCS2)n1
InChIInChI=1S/C12H20N4S/c1-4-16-7-5-11(15-16)14-12-13-10(9(2)3)6-8-17-12/h5,7,9-10H,4,6,8H2,1-3H3,(H,13,14,15)
InChIKeyNACGTFSISARLBR-UHFFFAOYSA-N
XLogP2.83
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114252324) is N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCn1ccc(NC2=NC(C(C)C)CCS2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NACGTFSISARLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-16-7-5-11(15-16)14-12-13-10(9(2)3)6-8-17-12/h5,7,9-10H,4,6,8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114252324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).