N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine

C14H25N5O2S2 — CID 91839682

IUPACN-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C14H25N5O2S2/c1-15-14-16-13(12-22-14)11-17-5-4-8-19(10-9-17)23(20,21)18-6-2-3-7-18/h12H,2-11H2,1H3,(H,15,16)
InChIKeyYHFMRGWDVFLKBI-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.03
Rot. Bonds5

About N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine

N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 91839682) has the molecular formula C14H25N5O2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID91839682
Molecular FormulaC14H25N5O2S2
Molecular Weight359.52 g/mol
Exact Mass359.14
IUPAC NameN-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C14H25N5O2S2/c1-15-14-16-13(12-22-14)11-17-5-4-8-19(10-9-17)23(20,21)18-6-2-3-7-18/h12H,2-11H2,1H3,(H,15,16)
InChIKeyYHFMRGWDVFLKBI-UHFFFAOYSA-N
XLogP1.03
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
1-[4-[4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 91836525
1-[(1-ethylpyrazol-3-yl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 131889933
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 97117424
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
3-methyl-7-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56912482
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
2-methyl-5-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 118789054

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine (CID 91839682) is N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine is CNc1nc(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1.
What is the InChIKey of N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YHFMRGWDVFLKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S2/c1-15-14-16-13(12-22-14)11-17-5-4-8-19(10-9-17)23(20,21)18-6-2-3-7-18/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 359.52 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91839682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).