6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C14H18N6S — CID 95342986

IUPAC6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cnn(C[C@@H]2CCCN2c2nn3cc(C)nc3s2)c1
InChIInChI=1S/C14H18N6S/c1-10-6-15-18(7-10)9-12-4-3-5-19(12)14-17-20-8-11(2)16-13(20)21-14/h6-8,12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyHWYVSUFMUOIHCW-LBPRGKRZSA-N
MW302.41 g/mol
LogP2.27
Rot. Bonds3

About 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 95342986) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID95342986
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cnn(C[C@@H]2CCCN2c2nn3cc(C)nc3s2)c1
InChIInChI=1S/C14H18N6S/c1-10-6-15-18(7-10)9-12-4-3-5-19(12)14-17-20-8-11(2)16-13(20)21-14/h6-8,12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyHWYVSUFMUOIHCW-LBPRGKRZSA-N
XLogP2.27
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-tert-butyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95305570
1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758361
[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
CID 71935841
N,N,6-trimethyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95599919
1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761901
4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95317595
7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95599921
N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95343281
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
1-[(4R)-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95353354
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 95342986) is 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1cnn(C[C@@H]2CCCN2c2nn3cc(C)nc3s2)c1.
What is the InChIKey of 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is HWYVSUFMUOIHCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N6S/c1-10-6-15-18(7-10)9-12-4-3-5-19(12)14-17-20-8-11(2)16-13(20)21-14/h6-8,12H,3-5,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 302.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 95342986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).