(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine

C8H13N3S — CID 67321336

IUPAC(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine
SMILESC1CC1NC1=N[C@H]2CNC[C@H]2S1
InChIInChI=1S/C8H13N3S/c1-2-5(1)10-8-11-6-3-9-4-7(6)12-8/h5-7,9H,1-4H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyHIOJAKUURUDYGU-NKWVEPMBSA-N
MW183.28 g/mol
LogP0.18
Rot. Bonds1

About (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine

(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine (PubChem CID 67321336) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine
PubChem CID67321336
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine
SMILESC1CC1NC1=N[C@H]2CNC[C@H]2S1
InChIInChI=1S/C8H13N3S/c1-2-5(1)10-8-11-6-3-9-4-7(6)12-8/h5-7,9H,1-4H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyHIOJAKUURUDYGU-NKWVEPMBSA-N
XLogP0.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine with MolForge

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Related Compounds

N-pyrrolidin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 57855145
2,3,5,6-Tetrahydroimidazo[2,1-b][1,3]thiazol-3-ylmethanamine
CID 68200001
2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine
CID 138705007
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169005186
2-(2,3,5,6-Tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)ethanamine
CID 24264295
N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61465270
N-(1-methylpyrrolidin-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61465271
4-ethyl-N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61465305
5-methyl-N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61465307
N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477605

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine (CID 67321336) is (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine is C1CC1NC1=N[C@H]2CNC[C@H]2S1.
What is the InChIKey of (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine?
The InChIKey is HIOJAKUURUDYGU-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-5(1)10-8-11-6-3-9-4-7(6)12-8/h5-7,9H,1-4H2,(H,10,11)/t6-,7+/m0/s1.
What are the key properties of (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine?
(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 67321336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).