N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine

C10H17ClN4S — CID 106194013

IUPACN-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NCCN1CCCCCC1
InChIInChI=1S/C10H17ClN4S/c11-9-10(14-16-13-9)12-5-8-15-6-3-1-2-4-7-15/h1-8H2,(H,12,14)
InChIKeyCSAQUIWRNBHVTD-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine

N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine (PubChem CID 106194013) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine
PubChem CID106194013
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NCCN1CCCCCC1
InChIInChI=1S/C10H17ClN4S/c11-9-10(14-16-13-9)12-5-8-15-6-3-1-2-4-7-15/h1-8H2,(H,12,14)
InChIKeyCSAQUIWRNBHVTD-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
N-[2-(azepan-1-yl)ethyl]-5-chloropyrimidin-2-amine
CID 79557528
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744
4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine
CID 80688542
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine (CID 106194013) is N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine is Clc1nsnc1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine?
The InChIKey is CSAQUIWRNBHVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c11-9-10(14-16-13-9)12-5-8-15-6-3-1-2-4-7-15/h1-8H2,(H,12,14).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine?
N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine has a molecular weight of 260.79 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-4-chloro-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 106194013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).