1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine

C16H26FN7S — CID 128994217

IUPAC1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nnnn2C(C)C)cs1
InChIInChI=1S/C16H26FN7S/c1-11(2)24-16(19-20-21-24)9-22(4)8-15-5-13(17)6-23(15)7-14-10-25-12(3)18-14/h10-11,13,15H,5-9H2,1-4H3/t13-,15-/m0/s1
InChIKeyHOBUTDFWEOROER-ZFWWWQNUSA-N
MW367.50 g/mol
LogP2.06
Rot. Bonds7

About 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine

1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine (PubChem CID 128994217) has the molecular formula C16H26FN7S and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine
PubChem CID128994217
Molecular FormulaC16H26FN7S
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nnnn2C(C)C)cs1
InChIInChI=1S/C16H26FN7S/c1-11(2)24-16(19-20-21-24)9-22(4)8-15-5-13(17)6-23(15)7-14-10-25-12(3)18-14/h10-11,13,15H,5-9H2,1-4H3/t13-,15-/m0/s1
InChIKeyHOBUTDFWEOROER-ZFWWWQNUSA-N
XLogP2.06
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine (CID 128994217) is 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nnnn2C(C)C)cs1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine?
The InChIKey is HOBUTDFWEOROER-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H26FN7S/c1-11(2)24-16(19-20-21-24)9-22(4)8-15-5-13(17)6-23(15)7-14-10-25-12(3)18-14/h10-11,13,15H,5-9H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine?
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine has a molecular weight of 367.50 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 128994217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).