5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C13H18ClN3S2 — CID 120903986

IUPAC5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(c3ccsc3)CC2)s1
InChIInChI=1S/C13H17N3S2.ClH/c14-13-15-7-12(18-13)8-16-4-1-10(2-5-16)11-3-6-17-9-11;/h3,6-7,9-10H,1-2,4-5,8H2,(H2,14,15);1H
InChIKeyBBCRILANGJJKCZ-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.59
Rot. Bonds3

About 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903986) has the molecular formula C13H18ClN3S2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903986
Molecular FormulaC13H18ClN3S2
Molecular Weight315.89 g/mol
Exact Mass315.06
IUPAC Name5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(c3ccsc3)CC2)s1
InChIInChI=1S/C13H17N3S2.ClH/c14-13-15-7-12(18-13)8-16-4-1-10(2-5-16)11-3-6-17-9-11;/h3,6-7,9-10H,1-2,4-5,8H2,(H2,14,15);1H
InChIKeyBBCRILANGJJKCZ-UHFFFAOYSA-N
XLogP3.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903108
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898786
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897963
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572

Frequently Asked Questions

What is the IUPAC name of 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903986) is 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCC(c3ccsc3)CC2)s1.
What is the InChIKey of 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BBCRILANGJJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2.ClH/c14-13-15-7-12(18-13)8-16-4-1-10(2-5-16)11-3-6-17-9-11;/h3,6-7,9-10H,1-2,4-5,8H2,(H2,14,15);1H.
What are the key properties of 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).