[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

C15H24N4S — CID 63915854

IUPAC[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCCN3CCCC3C2)nc1C1CC1
InChIInChI=1S/C15H24N4S/c16-9-13-14(11-4-5-11)17-15(20-13)19-8-2-7-18-6-1-3-12(18)10-19/h11-12H,1-10,16H2
InChIKeyTXIDRFOXVDGKHH-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.15
Rot. Bonds3

About [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (PubChem CID 63915854) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
PubChem CID63915854
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCCN3CCCC3C2)nc1C1CC1
InChIInChI=1S/C15H24N4S/c16-9-13-14(11-4-5-11)17-15(20-13)19-8-2-7-18-6-1-3-12(18)10-19/h11-12H,1-10,16H2
InChIKeyTXIDRFOXVDGKHH-UHFFFAOYSA-N
XLogP2.15
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine with MolForge

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Related Compounds

[4-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916249
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 79920135
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 79924759
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63915599
[4-cyclopropyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 66370249
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540374
[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916547
[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916433
[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 64623500

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (CID 63915854) is [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is NCc1sc(N2CCCN3CCCC3C2)nc1C1CC1.
What is the InChIKey of [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is TXIDRFOXVDGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c16-9-13-14(11-4-5-11)17-15(20-13)19-8-2-7-18-6-1-3-12(18)10-19/h11-12H,1-10,16H2.
What are the key properties of [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 292.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63915854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).