N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine

C12H20N4S — CID 107463962

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCc1nn(C)cc1NC1=NC(C)(C)CCS1
InChIInChI=1S/C12H20N4S/c1-5-9-10(8-16(4)15-9)13-11-14-12(2,3)6-7-17-11/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyKNTXMBFPAHBQFZ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.67
Rot. Bonds2

About N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 107463962) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID107463962
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCc1nn(C)cc1NC1=NC(C)(C)CCS1
InChIInChI=1S/C12H20N4S/c1-5-9-10(8-16(4)15-9)13-11-14-12(2,3)6-7-17-11/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyKNTXMBFPAHBQFZ-UHFFFAOYSA-N
XLogP2.67
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107463958
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 107463844
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 107463509
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 107463531
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292
2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107463005
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 107463946

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine (CID 107463962) is N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is CCc1nn(C)cc1NC1=NC(C)(C)CCS1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is KNTXMBFPAHBQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-5-9-10(8-16(4)15-9)13-11-14-12(2,3)6-7-17-11/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 107463962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).