(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C15H21N5OS — CID 95727726

IUPAC(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)[C@@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C15H21N5OS/c21-13(12-7-15(10-18-12)1-3-16-4-2-15)17-8-11-9-20-5-6-22-14(20)19-11/h5-6,9,12,16,18H,1-4,7-8,10H2,(H,17,21)/t12-/m0/s1
InChIKeyLGPUTXDOKFNGRC-LBPRGKRZSA-N
MW319.43 g/mol
LogP0.74
Rot. Bonds3

About (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95727726) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95727726
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)[C@@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C15H21N5OS/c21-13(12-7-15(10-18-12)1-3-16-4-2-15)17-8-11-9-20-5-6-22-14(20)19-11/h5-6,9,12,16,18H,1-4,7-8,10H2,(H,17,21)/t12-/m0/s1
InChIKeyLGPUTXDOKFNGRC-LBPRGKRZSA-N
XLogP0.74
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564815
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115334218
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570728
N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154892684
(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
CID 125168450
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95729625
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95727726) is (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1cn2ccsc2n1)[C@@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is LGPUTXDOKFNGRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c21-13(12-7-15(10-18-12)1-3-16-4-2-15)17-8-11-9-20-5-6-22-14(20)19-11/h5-6,9,12,16,18H,1-4,7-8,10H2,(H,17,21)/t12-/m0/s1.
What are the key properties of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95727726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).