1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine

C8H17N3S — CID 83017609

IUPAC1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)[C@H]1CSC(NN(C)C)=N1
InChIInChI=1S/C8H17N3S/c1-6(2)7-5-12-8(9-7)10-11(3)4/h6-7H,5H2,1-4H3,(H,9,10)/t7-/m1/s1
InChIKeySANBMMFZFYTISW-SSDOTTSWSA-N
MW187.31 g/mol
LogP1.18
Rot. Bonds2

About 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine

1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine (PubChem CID 83017609) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine
PubChem CID83017609
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)[C@H]1CSC(NN(C)C)=N1
InChIInChI=1S/C8H17N3S/c1-6(2)7-5-12-8(9-7)10-11(3)4/h6-7H,5H2,1-4H3,(H,9,10)/t7-/m1/s1
InChIKeySANBMMFZFYTISW-SSDOTTSWSA-N
XLogP1.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine (CID 83017609) is 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine is CC(C)[C@H]1CSC(NN(C)C)=N1.
What is the InChIKey of 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine?
The InChIKey is SANBMMFZFYTISW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3S/c1-6(2)7-5-12-8(9-7)10-11(3)4/h6-7H,5H2,1-4H3,(H,9,10)/t7-/m1/s1.
What are the key properties of 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine?
1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine has a molecular weight of 187.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 83017609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).