4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride

C9H17Cl2N3S — CID 70789243

IUPAC4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C9H15N3S.2ClH/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12;;/h7H,1-6H2,(H2,10,11);2*1H
InChIKeyBPSZIEZNIFGMDN-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.55
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride

4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 70789243) has the molecular formula C9H17Cl2N3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID70789243
Molecular FormulaC9H17Cl2N3S
Molecular Weight270.23 g/mol
Exact Mass269.05
IUPAC Name4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C9H15N3S.2ClH/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12;;/h7H,1-6H2,(H2,10,11);2*1H
InChIKeyBPSZIEZNIFGMDN-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 55166232
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 106587020
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54986069
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride (CID 70789243) is 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is BPSZIEZNIFGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.2ClH/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12;;/h7H,1-6H2,(H2,10,11);2*1H.
What are the key properties of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride?
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 270.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 70789243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).