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

C14H22N4S2 — CID 82431304

IUPACN-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CC)sc1-c1nnc(NC(C)CC)s1
InChIInChI=1S/C14H22N4S2/c1-5-8-10-12(19-11(7-3)16-10)13-17-18-14(20-13)15-9(4)6-2/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeySQEZAVVDRYFGNJ-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.39
Rot. Bonds7

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

N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82431304) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82431304
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC NameN-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CC)sc1-c1nnc(NC(C)CC)s1
InChIInChI=1S/C14H22N4S2/c1-5-8-10-12(19-11(7-3)16-10)13-17-18-14(20-13)15-9(4)6-2/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeySQEZAVVDRYFGNJ-UHFFFAOYSA-N
XLogP4.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
N-butan-2-yl-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422488
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926
N-ethyl-5-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433612
N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427815
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435916
N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422355
5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
CID 107648001
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine
CID 130643850

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82431304) is N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCCc1nc(CC)sc1-c1nnc(NC(C)CC)s1.
What is the InChIKey of N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SQEZAVVDRYFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-8-10-12(19-11(7-3)16-10)13-17-18-14(20-13)15-9(4)6-2/h9H,5-8H2,1-4H3,(H,15,18).
What are the key properties of N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82431304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).