1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine

C14H18N4OS — CID 154864845

IUPAC1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine
SMILESCOc1ccc(-c2nnc(N(C)C3CC(N)C3)s2)cc1
InChIInChI=1S/C14H18N4OS/c1-18(11-7-10(15)8-11)14-17-16-13(20-14)9-3-5-12(19-2)6-4-9/h3-6,10-11H,7-8,15H2,1-2H3
InChIKeyVPAHABDNMLMWQH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds4

About 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine

1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine (PubChem CID 154864845) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine
PubChem CID154864845
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine
SMILESCOc1ccc(-c2nnc(N(C)C3CC(N)C3)s2)cc1
InChIInChI=1S/C14H18N4OS/c1-18(11-7-10(15)8-11)14-17-16-13(20-14)9-3-5-12(19-2)6-4-9/h3-6,10-11H,7-8,15H2,1-2H3
InChIKeyVPAHABDNMLMWQH-UHFFFAOYSA-N
XLogP2.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol
CID 154781318
2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3748819
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 43811421
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-N-methylbenzamide
CID 108764475
N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3212712
N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 82476029
2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51370258
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
2-(4-methoxyphenoxy)cyclopropan-1-amine
CID 119092360
N-(furan-2-ylmethyl)-N'-[4-[5-(4-methoxy-N-methylanilino)-1,3,4-thiadiazol-2-yl]phenyl]oxamide
CID 42176214
(2S)-2-(dimethylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 97329088

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine (CID 154864845) is 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine is COc1ccc(-c2nnc(N(C)C3CC(N)C3)s2)cc1.
What is the InChIKey of 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine?
The InChIKey is VPAHABDNMLMWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(11-7-10(15)8-11)14-17-16-13(20-14)9-3-5-12(19-2)6-4-9/h3-6,10-11H,7-8,15H2,1-2H3.
What are the key properties of 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine?
1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine has a molecular weight of 290.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine is sourced from PubChem (CID 154864845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).