5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole

C16H29NS — CID 177141160

IUPAC5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole
SMILESCCCCC(CC)c1sc(C(C)C)nc1C(C)C
InChIInChI=1S/C16H29NS/c1-7-9-10-13(8-2)15-14(11(3)4)17-16(18-15)12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyBAFLZWBARQMCCT-UHFFFAOYSA-N
MW267.48 g/mol
LogP6.07
Rot. Bonds7

About 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole

5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole (PubChem CID 177141160) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole
PubChem CID177141160
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole
SMILESCCCCC(CC)c1sc(C(C)C)nc1C(C)C
InChIInChI=1S/C16H29NS/c1-7-9-10-13(8-2)15-14(11(3)4)17-16(18-15)12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyBAFLZWBARQMCCT-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82434753
5-heptan-3-yl-3-iodo-1,2,4-thiadiazole
CID 102943751
2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82434742
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
dibutyl-ethyl-methylphosphanium
CID 58444360
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
5-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82434754
4-heptan-3-yl-5-propan-2-yl-1,3-dioxole
CID 170312233
2,5-di(octan-3-yl)thiophene
CID 151127806
2,5-di(propan-2-yl)-1,3-thiazol-4-amine
CID 82373516
ethane;5-heptan-3-yl-1,3-thiazol-2-amine
CID 156888648

Frequently Asked Questions

What is the IUPAC name of 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole (CID 177141160) is 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole is CCCCC(CC)c1sc(C(C)C)nc1C(C)C.
What is the InChIKey of 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole?
The InChIKey is BAFLZWBARQMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-7-9-10-13(8-2)15-14(11(3)4)17-16(18-15)12(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole?
5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole has a molecular weight of 267.48 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 177141160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).