thian-2-yl(1,2-thiazol-3-yl)methanamine

C9H14N2S2 — CID 130658178

IUPACthian-2-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCCCS1
InChIInChI=1S/C9H14N2S2/c10-9(7-4-6-13-11-7)8-3-1-2-5-12-8/h4,6,8-9H,1-3,5,10H2
InChIKeyFBOIDNVUBFRSKC-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.43
Rot. Bonds2

About thian-2-yl(1,2-thiazol-3-yl)methanamine

thian-2-yl(1,2-thiazol-3-yl)methanamine (PubChem CID 130658178) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is thian-2-yl(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Namethian-2-yl(1,2-thiazol-3-yl)methanamine
PubChem CID130658178
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Namethian-2-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCCCS1
InChIInChI=1S/C9H14N2S2/c10-9(7-4-6-13-11-7)8-3-1-2-5-12-8/h4,6,8-9H,1-3,5,10H2
InChIKeyFBOIDNVUBFRSKC-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-thiazol-3-yl(thiolan-2-yl)methanamine
CID 130640950
2-cyclohexyl-1-(1,2-thiazol-3-yl)ethanamine
CID 131017327
1,3-thiazol-4-yl(thiolan-2-yl)methanamine
CID 130639849
(5-methylthiophen-2-yl)-(thian-2-yl)methanamine
CID 80627664
thian-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 80626778
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783553
(2,5-difluorophenyl)-(thian-2-yl)methanamine
CID 80626352
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine
CID 121460240
quinolin-5-yl(thiolan-2-yl)methanamine
CID 81224263
2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
[6-bicyclo[3.1.0]hexanyl(1,2-thiazol-3-yl)methyl]hydrazine
CID 131160596

Frequently Asked Questions

What is the IUPAC name of thian-2-yl(1,2-thiazol-3-yl)methanamine?
The IUPAC name of thian-2-yl(1,2-thiazol-3-yl)methanamine (CID 130658178) is thian-2-yl(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for thian-2-yl(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for thian-2-yl(1,2-thiazol-3-yl)methanamine is NC(c1ccsn1)C1CCCCS1.
What is the InChIKey of thian-2-yl(1,2-thiazol-3-yl)methanamine?
The InChIKey is FBOIDNVUBFRSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c10-9(7-4-6-13-11-7)8-3-1-2-5-12-8/h4,6,8-9H,1-3,5,10H2.
What are the key properties of thian-2-yl(1,2-thiazol-3-yl)methanamine?
thian-2-yl(1,2-thiazol-3-yl)methanamine has a molecular weight of 214.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thian-2-yl(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130658178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).