N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine

C9H17N3S — CID 105146019

IUPACN-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine
SMILESCCNC(c1csnn1)C(C)(C)C
InChIInChI=1S/C9H17N3S/c1-5-10-8(9(2,3)4)7-6-13-12-11-7/h6,8,10H,5H2,1-4H3
InChIKeyIOOQMSXJDTXRKH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.23
Rot. Bonds3

About N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine

N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine (PubChem CID 105146019) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine
PubChem CID105146019
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine
SMILESCCNC(c1csnn1)C(C)(C)C
InChIInChI=1S/C9H17N3S/c1-5-10-8(9(2,3)4)7-6-13-12-11-7/h6,8,10H,5H2,1-4H3
InChIKeyIOOQMSXJDTXRKH-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(thiadiazol-4-yl)but-3-en-1-amine
CID 105108314
N-ethyl-1-(thiadiazol-4-yl)heptan-1-amine
CID 105126169
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105121025
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
N-[(2-methoxy-3,4-dimethylphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 103435298
N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105167406
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
N-[(3-bromo-2,4-dimethoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 103524505
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine (CID 105146019) is N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine is CCNC(c1csnn1)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine?
The InChIKey is IOOQMSXJDTXRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-5-10-8(9(2,3)4)7-6-13-12-11-7/h6,8,10H,5H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine?
N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-amine is sourced from PubChem (CID 105146019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).