N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C12H17N5O3S2 — CID 67335830

IUPACN-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(S(=O)(=O)N3CCOCC3)cnc2s1)C1CC1
InChIInChI=1S/C12H17N5O3S2/c1-15(9-2-3-9)12-14-17-10(8-13-11(17)21-12)22(18,19)16-4-6-20-7-5-16/h8-9H,2-7H2,1H3
InChIKeyRLQYCOBSJVCPQH-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.41
Rot. Bonds4

About N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67335830) has the molecular formula C12H17N5O3S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67335830
Molecular FormulaC12H17N5O3S2
Molecular Weight343.43 g/mol
Exact Mass343.08
IUPAC NameN-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(S(=O)(=O)N3CCOCC3)cnc2s1)C1CC1
InChIInChI=1S/C12H17N5O3S2/c1-15(9-2-3-9)12-14-17-10(8-13-11(17)21-12)22(18,19)16-4-6-20-7-5-16/h8-9H,2-7H2,1H3
InChIKeyRLQYCOBSJVCPQH-UHFFFAOYSA-N
XLogP0.41
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67334232
5-iodo-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748226
N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221909
5-iodo-N-methyl-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748068
4-(3-methylimidazol-4-yl)sulfonylmorpholine
CID 11299206
4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-methylcyclohexan-1-ol
CID 56836651
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67335830) is N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(c1nn2c(S(=O)(=O)N3CCOCC3)cnc2s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is RLQYCOBSJVCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S2/c1-15(9-2-3-9)12-14-17-10(8-13-11(17)21-12)22(18,19)16-4-6-20-7-5-16/h8-9H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 343.43 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-morpholin-4-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67335830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).