3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide

C14H21N5OS — CID 103382582

IUPAC3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NC2CN3CCC2CC3)c1C(=O)NC1CC1
InChIInChI=1S/C14H21N5OS/c15-12-11(13(20)16-9-1-2-9)14(21-18-12)17-10-7-19-5-3-8(10)4-6-19/h8-10,17H,1-7H2,(H2,15,18)(H,16,20)
InChIKeyNFSXPGYHXPRODU-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.12
Rot. Bonds4

About 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide

3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103382582) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103382582
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NC2CN3CCC2CC3)c1C(=O)NC1CC1
InChIInChI=1S/C14H21N5OS/c15-12-11(13(20)16-9-1-2-9)14(21-18-12)17-10-7-19-5-3-8(10)4-6-19/h8-10,17H,1-7H2,(H2,15,18)(H,16,20)
InChIKeyNFSXPGYHXPRODU-UHFFFAOYSA-N
XLogP1.12
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103363654
ethyl 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375572
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
CID 106218893
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382579
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103382582) is 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide is Nc1nsc(NC2CN3CCC2CC3)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is NFSXPGYHXPRODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c15-12-11(13(20)16-9-1-2-9)14(21-18-12)17-10-7-19-5-3-8(10)4-6-19/h8-10,17H,1-7H2,(H2,15,18)(H,16,20).
What are the key properties of 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).