(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C10H20N2S — CID 146787000

IUPAC(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC[C@@H](C)[C@H]1CN=C(NC(C)C)S1
InChIInChI=1S/C10H20N2S/c1-5-8(4)9-6-11-10(13-9)12-7(2)3/h7-9H,5-6H2,1-4H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyRVBJGVASZIQQHT-RKDXNWHRSA-N
MW200.35 g/mol
LogP2.50
Rot. Bonds3

About (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 146787000) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID146787000
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC[C@@H](C)[C@H]1CN=C(NC(C)C)S1
InChIInChI=1S/C10H20N2S/c1-5-8(4)9-6-11-10(13-9)12-7(2)3/h7-9H,5-6H2,1-4H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyRVBJGVASZIQQHT-RKDXNWHRSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
5-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106284857
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285500
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285501
5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285502
5-pentan-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106431811
N-(2,2-difluoroethyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154631

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 146787000) is (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC[C@@H](C)[C@H]1CN=C(NC(C)C)S1.
What is the InChIKey of (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RVBJGVASZIQQHT-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2S/c1-5-8(4)9-6-11-10(13-9)12-7(2)3/h7-9H,5-6H2,1-4H3,(H,11,12)/t8-,9-/m1/s1.
What are the key properties of (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 146787000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).