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

C12H20N4S — CID 115361810

IUPAC5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCn1cc(CCNC2=NCC(C)(C)CS2)cn1
InChIInChI=1S/C12H20N4S/c1-12(2)8-14-11(17-9-12)13-5-4-10-6-15-16(3)7-10/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeySBTCASJIIGFULV-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.68
Rot. Bonds3

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

5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361810) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361810
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCn1cc(CCNC2=NCC(C)(C)CS2)cn1
InChIInChI=1S/C12H20N4S/c1-12(2)8-14-11(17-9-12)13-5-4-10-6-15-16(3)7-10/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeySBTCASJIIGFULV-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361492
5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 80686490
2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 81131882
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 83007960
4-fluoro-2-iodo-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103734755

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 115361810) is 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine is Cn1cc(CCNC2=NCC(C)(C)CS2)cn1.
What is the InChIKey of 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is SBTCASJIIGFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-12(2)8-14-11(17-9-12)13-5-4-10-6-15-16(3)7-10/h6-7H,4-5,8-9H2,1-3H3,(H,13,14).
What are the key properties of 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).