5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C12H16N4S2 — CID 120899637

IUPAC5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCCC2c2nccs2)s1
InChIInChI=1S/C12H16N4S2/c13-12-15-7-9(18-12)8-16-5-2-1-3-10(16)11-14-4-6-17-11/h4,6-7,10H,1-3,5,8H2,(H2,13,15)
InChIKeyJIYIAIUONSHFRH-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.91
Rot. Bonds3

About 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120899637) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120899637
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCCC2c2nccs2)s1
InChIInChI=1S/C12H16N4S2/c13-12-15-7-9(18-12)8-16-5-2-1-3-10(16)11-14-4-6-17-11/h4,6-7,10H,1-3,5,8H2,(H2,13,15)
InChIKeyJIYIAIUONSHFRH-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903108
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905085
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
ethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 120905450
5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898876
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120899637) is 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCCC2c2nccs2)s1.
What is the InChIKey of 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is JIYIAIUONSHFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c13-12-15-7-9(18-12)8-16-5-2-1-3-10(16)11-14-4-6-17-11/h4,6-7,10H,1-3,5,8H2,(H2,13,15).
What are the key properties of 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).