5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C11H15N3S2 — CID 115910533

IUPAC5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCc1nnc(NCc2cccs2)s1
InChIInChI=1S/C11H15N3S2/c1-2-3-6-10-13-14-11(16-10)12-8-9-5-4-7-15-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)
InChIKeyPZZXJYDXZFVHQB-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.55
Rot. Bonds6

About 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115910533) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115910533
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCc1nnc(NCc2cccs2)s1
InChIInChI=1S/C11H15N3S2/c1-2-3-6-10-13-14-11(16-10)12-8-9-5-4-7-15-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)
InChIKeyPZZXJYDXZFVHQB-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 104599839
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606920
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362410
(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 31040358
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115925012
methane;2-undecylthiophene
CID 175504380

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 115910533) is 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine is CCCCc1nnc(NCc2cccs2)s1.
What is the InChIKey of 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PZZXJYDXZFVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-2-3-6-10-13-14-11(16-10)12-8-9-5-4-7-15-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14).
What are the key properties of 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115910533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).