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

C10H19N3S — CID 65204118

IUPAC2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)c1nnsc1CNC(C)(C)C
InChIInChI=1S/C10H19N3S/c1-7(2)9-8(14-13-12-9)6-11-10(3,4)5/h7,11H,6H2,1-5H3
InChIKeyCBCKNFLNSJIEJC-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.55
Rot. Bonds3

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

2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine (PubChem CID 65204118) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
PubChem CID65204118
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)c1nnsc1CNC(C)(C)C
InChIInChI=1S/C10H19N3S/c1-7(2)9-8(14-13-12-9)6-11-10(3,4)5/h7,11H,6H2,1-5H3
InChIKeyCBCKNFLNSJIEJC-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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
N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
CID 115407129
(4-Isopropyl-1,2,3-thiadiazol-5-yl)methanamine
CID 28065078
(4-Isopropyl-1,2,3-thiadiazol-5-yl)methanamine hydrochloride
CID 46736568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine (CID 65204118) is 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine is CC(C)c1nnsc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is CBCKNFLNSJIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)9-8(14-13-12-9)6-11-10(3,4)5/h7,11H,6H2,1-5H3.
What are the key properties of 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine?
2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 65204118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).