5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

C13H20N4S2 — CID 82432451

IUPAC5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(C(CC)CC)sc1-c1nnc(N)s1
InChIInChI=1S/C13H20N4S2/c1-4-7-9-10(12-16-17-13(14)19-12)18-11(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,17)
InChIKeyAHLXDRZLMVUYOS-UHFFFAOYSA-N
MW296.47 g/mol
LogP4.10
Rot. Bonds6

About 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82432451) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82432451
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(C(CC)CC)sc1-c1nnc(N)s1
InChIInChI=1S/C13H20N4S2/c1-4-7-9-10(12-16-17-13(14)19-12)18-11(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,17)
InChIKeyAHLXDRZLMVUYOS-UHFFFAOYSA-N
XLogP4.10
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82426676
2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82432448
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432460
3-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432457
5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82438371
5-[2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440063
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 65204130
chloroform;5-propyl-1,3,4-thiadiazol-2-amine
CID 174928082
5-(8-propyl-1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine
CID 69233553
5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440671

Frequently Asked Questions

What is the IUPAC name of 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82432451) is 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCCc1nc(C(CC)CC)sc1-c1nnc(N)s1.
What is the InChIKey of 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AHLXDRZLMVUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-7-9-10(12-16-17-13(14)19-12)18-11(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,17).
What are the key properties of 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 296.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82432451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).