2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C14H23ClN4O2S — CID 118741565

IUPAC2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.Nc1nc(C(=O)NCC2CCC3(CCNCC3)CO2)cs1
InChIInChI=1S/C14H22N4O2S.ClH/c15-13-18-11(8-21-13)12(19)17-7-10-1-2-14(9-20-10)3-5-16-6-4-14;/h8,10,16H,1-7,9H2,(H2,15,18)(H,17,19);1H
InChIKeyFJFBMJVZCPFKOL-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 118741565) has the molecular formula C14H23ClN4O2S and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID118741565
Molecular FormulaC14H23ClN4O2S
Molecular Weight346.88 g/mol
Exact Mass346.12
IUPAC Name2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.Nc1nc(C(=O)NCC2CCC3(CCNCC3)CO2)cs1
InChIInChI=1S/C14H22N4O2S.ClH/c15-13-18-11(8-21-13)12(19)17-7-10-1-2-14(9-20-10)3-5-16-6-4-14;/h8,10,16H,1-7,9H2,(H2,15,18)(H,17,19);1H
InChIKeyFJFBMJVZCPFKOL-UHFFFAOYSA-N
XLogP1.43
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 118741564
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
CID 146104826
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)oxolane-3-carboxamide
CID 134078636
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166269415
2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 118795603
4-[(3-azaspiro[5.5]undecan-9-ylamino)methyl]-1,3-thiazol-2-amine;trihydrochloride
CID 166247451
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide
CID 71965749
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65120198

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 118741565) is 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.Nc1nc(C(=O)NCC2CCC3(CCNCC3)CO2)cs1.
What is the InChIKey of 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FJFBMJVZCPFKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S.ClH/c15-13-18-11(8-21-13)12(19)17-7-10-1-2-14(9-20-10)3-5-16-6-4-14;/h8,10,16H,1-7,9H2,(H2,15,18)(H,17,19);1H.
What are the key properties of 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 118741565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).