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

C14H18N4S2 — CID 82436910

IUPAC5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2sc(C3CC3)nc2C2CC2)s1
InChIInChI=1S/C14H18N4S2/c1-2-7-15-14-18-17-13(20-14)11-10(8-3-4-8)16-12(19-11)9-5-6-9/h8-9H,2-7H2,1H3,(H,15,18)
InChIKeyNRBXMSPJIUUVAA-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.24
Rot. Bonds6

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

5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 82436910) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID82436910
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2sc(C3CC3)nc2C2CC2)s1
InChIInChI=1S/C14H18N4S2/c1-2-7-15-14-18-17-13(20-14)11-10(8-3-4-8)16-12(19-11)9-5-6-9/h8-9H,2-7H2,1H3,(H,15,18)
InChIKeyNRBXMSPJIUUVAA-UHFFFAOYSA-N
XLogP4.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423523
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435916
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435861
5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436177
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996
5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436705
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
4-methyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62956816
5-(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82434571
5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82426648
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 82436910) is 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2sc(C3CC3)nc2C2CC2)s1.
What is the InChIKey of 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NRBXMSPJIUUVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-2-7-15-14-18-17-13(20-14)11-10(8-3-4-8)16-12(19-11)9-5-6-9/h8-9H,2-7H2,1H3,(H,15,18).
What are the key properties of 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 306.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82436910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).