N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine

C9H17N3S — CID 65204116

IUPACN-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1snnc1C(C)C
InChIInChI=1S/C9H17N3S/c1-6(2)9-8(13-12-11-9)5-10-7(3)4/h6-7,10H,5H2,1-4H3
InChIKeyZPHWYRIEKQQHDG-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine

N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine (PubChem CID 65204116) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
PubChem CID65204116
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1snnc1C(C)C
InChIInChI=1S/C9H17N3S/c1-6(2)9-8(13-12-11-9)5-10-7(3)4/h6-7,10H,5H2,1-4H3
InChIKeyZPHWYRIEKQQHDG-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R*,4S*)-4-cyclopropyl-1-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-pyrrolidinamine
CID 72921116
2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204268
N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205256
N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205257
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401
4,4,4-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156416
N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105174384
5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105174391
N-ethyl-4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 113687113
5,5,5-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 113688938
N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
CID 115407014
2,2-difluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 115407053

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine (CID 65204116) is N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1snnc1C(C)C.
What is the InChIKey of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is ZPHWYRIEKQQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)9-8(13-12-11-9)5-10-7(3)4/h6-7,10H,5H2,1-4H3.
What are the key properties of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 65204116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).