(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine

C8H9N3S2 — CID 130979013

IUPAC(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2cscn2)cs1
InChIInChI=1S/C8H9N3S2/c1-5-11-7(3-13-5)8(9)6-2-12-4-10-6/h2-4,8H,9H2,1H3
InChIKeyPSPJENFGIVFSLD-UHFFFAOYSA-N
MW211.32 g/mol
LogP1.96
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine

(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 130979013) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
PubChem CID130979013
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2cscn2)cs1
InChIInChI=1S/C8H9N3S2/c1-5-11-7(3-13-5)8(9)6-2-12-4-10-6/h2-4,8H,9H2,1H3
InChIKeyPSPJENFGIVFSLD-UHFFFAOYSA-N
XLogP1.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105150606
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105076919
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 130527433
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine (CID 130979013) is (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)c2cscn2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is PSPJENFGIVFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-5-11-7(3-13-5)8(9)6-2-12-4-10-6/h2-4,8H,9H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 211.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 130979013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).