4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine

C9H14ClN3S — CID 61444101

IUPAC4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCN(CC1CC1)c1nsnc1Cl
InChIInChI=1S/C9H14ClN3S/c1-2-5-13(6-7-3-4-7)9-8(10)11-14-12-9/h7H,2-6H2,1H3
InChIKeyVWQJHIZPRYLLFP-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.82
Rot. Bonds5

About 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine

4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 61444101) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID61444101
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCN(CC1CC1)c1nsnc1Cl
InChIInChI=1S/C9H14ClN3S/c1-2-5-13(6-7-3-4-7)9-8(10)11-14-12-9/h7H,2-6H2,1H3
InChIKeyVWQJHIZPRYLLFP-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine
CID 63729454
4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 62856259
3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 70148079
4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 63548042
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 63587069
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 62001137
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 61444101) is 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCN(CC1CC1)c1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is VWQJHIZPRYLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-2-5-13(6-7-3-4-7)9-8(10)11-14-12-9/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine has a molecular weight of 231.75 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 61444101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).