4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride

C14H27Cl3N4S — CID 166247451

IUPAC4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride
SMILESCl.Cl.Cl.Nc1nc(CNC2CCC3(CCNCC3)CC2)cs1
InChIInChI=1S/C14H24N4S.3ClH/c15-13-18-12(10-19-13)9-17-11-1-3-14(4-2-11)5-7-16-8-6-14;;;/h10-11,16-17H,1-9H2,(H2,15,18);3*1H
InChIKeyCBWAOGFAUBKIFA-UHFFFAOYSA-N
MW389.82 g/mol
LogP3.39
Rot. Bonds3

About 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride

4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride (PubChem CID 166247451) has the molecular formula C14H27Cl3N4S and a molecular weight of 389.82 g/mol. Its IUPAC name is 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride.

Molecular Properties

Compound Name4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride
PubChem CID166247451
Molecular FormulaC14H27Cl3N4S
Molecular Weight389.82 g/mol
Exact Mass388.10
IUPAC Name4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride
SMILESCl.Cl.Cl.Nc1nc(CNC2CCC3(CCNCC3)CC2)cs1
InChIInChI=1S/C14H24N4S.3ClH/c15-13-18-12(10-19-13)9-17-11-1-3-14(4-2-11)5-7-16-8-6-14;;;/h10-11,16-17H,1-9H2,(H2,15,18);3*1H
InChIKeyCBWAOGFAUBKIFA-UHFFFAOYSA-N
XLogP3.39
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride with MolForge

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721681
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
CID 110747812
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154884939
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154890448
(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95862437
[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 131891386
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[(1,5-dimethylindazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154924781
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594

Frequently Asked Questions

What is the IUPAC name of 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride?
The IUPAC name of 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride (CID 166247451) is 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride.
What is the SMILES notation for 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride?
The canonical SMILES for 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride is Cl.Cl.Cl.Nc1nc(CNC2CCC3(CCNCC3)CC2)cs1.
What is the InChIKey of 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride?
The InChIKey is CBWAOGFAUBKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S.3ClH/c15-13-18-12(10-19-13)9-17-11-1-3-14(4-2-11)5-7-16-8-6-14;;;/h10-11,16-17H,1-9H2,(H2,15,18);3*1H.
What are the key properties of 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride?
4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride has a molecular weight of 389.82 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride is sourced from PubChem (CID 166247451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).