(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole

C10H19NS — CID 102372571

IUPAC(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
SMILESCCC[C@H]1N=C(C)S[C@@H]1CCC
InChIInChI=1S/C10H19NS/c1-4-6-9-10(7-5-2)12-8(3)11-9/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyQGCIHWSZSQLHCC-NXEZZACHSA-N
MW185.34 g/mol
LogP3.49
Rot. Bonds4

About (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole

(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole (PubChem CID 102372571) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
PubChem CID102372571
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
SMILESCCC[C@H]1N=C(C)S[C@@H]1CCC
InChIInChI=1S/C10H19NS/c1-4-6-9-10(7-5-2)12-8(3)11-9/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyQGCIHWSZSQLHCC-NXEZZACHSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-dipropyl-1,4-dithiane
CID 643418
4-methyl-2-propyl-2H-1,3-oxazol-5-one
CID 141014885
3-ethyl-2-propyl-2H-azirine
CID 149465401
(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 130879354
(3aS,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole
CID 12652744
2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
CID 59112144
1-[4-(1-hydroxyethenyl)-2-methyl-4,5-dihydro-1,3-thiazol-5-yl]propan-1-one
CID 163902709
2-ethylsulfanyl-3-propylthiirane
CID 151728970
N-(2-propyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)cyclopropanecarboxamide
CID 57119615
N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049138
(4S,5R)-5-(iodomethyl)-4-propyl-2-(trichloromethyl)-4,5-dihydro-1,3-oxazole
CID 13225942
ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine
CID 178007611

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole (CID 102372571) is (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole is CCC[C@H]1N=C(C)S[C@@H]1CCC.
What is the InChIKey of (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole?
The InChIKey is QGCIHWSZSQLHCC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-6-9-10(7-5-2)12-8(3)11-9/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole?
(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole has a molecular weight of 185.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102372571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).