N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C10H15N3S — CID 130758070

IUPACN-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N[C@@H]2C[C@H]2C2CC2)n1
InChIInChI=1S/C10H15N3S/c1-2-9-12-10(14-13-9)11-8-5-7(8)6-3-4-6/h6-8H,2-5H2,1H3,(H,11,12,13)/t7-,8+/m0/s1
InChIKeyDKTXQBCHXFIFIS-JGVFFNPUSA-N
MW209.32 g/mol
LogP2.31
Rot. Bonds4

About N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 130758070) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID130758070
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N[C@@H]2C[C@H]2C2CC2)n1
InChIInChI=1S/C10H15N3S/c1-2-9-12-10(14-13-9)11-8-5-7(8)6-3-4-6/h6-8H,2-5H2,1H3,(H,11,12,13)/t7-,8+/m0/s1
InChIKeyDKTXQBCHXFIFIS-JGVFFNPUSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542
3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736671
N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 130710370
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 97307566
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
N-[(1R,2S,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 98870976
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
CID 79085318
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
3-ethyl-N-(3-morpholin-4-ylcyclobutyl)-1,2,4-thiadiazol-5-amine
CID 125423819
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 130758070) is N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N[C@@H]2C[C@H]2C2CC2)n1.
What is the InChIKey of N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DKTXQBCHXFIFIS-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-9-12-10(14-13-9)11-8-5-7(8)6-3-4-6/h6-8H,2-5H2,1H3,(H,11,12,13)/t7-,8+/m0/s1.
What are the key properties of N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 209.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130758070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).