[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium

C14H25N3O2PS+ — CID 91198018

IUPAC[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium
SMILESC=[P+](C)CC(N)CCC(C)NC(=O)OCc1cnc(C)s1
InChIInChI=1S/C14H24N3O2PS/c1-10(5-6-12(15)9-20(3)4)17-14(18)19-8-13-7-16-11(2)21-13/h7,10,12H,3,5-6,8-9,15H2,1-2,4H3/p+1
InChIKeyJGSHDMOXZCNFIK-UHFFFAOYSA-O
MW330.41 g/mol
LogP2.72
Rot. Bonds8

About [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium

[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium (PubChem CID 91198018) has the molecular formula C14H25N3O2PS+ and a molecular weight of 330.41 g/mol. Its IUPAC name is [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium.

Molecular Properties

Compound Name[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium
PubChem CID91198018
Molecular FormulaC14H25N3O2PS+
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium
SMILESC=[P+](C)CC(N)CCC(C)NC(=O)OCc1cnc(C)s1
InChIInChI=1S/C14H24N3O2PS/c1-10(5-6-12(15)9-20(3)4)17-14(18)19-8-13-7-16-11(2)21-13/h7,10,12H,3,5-6,8-9,15H2,1-2,4H3/p+1
InChIKeyJGSHDMOXZCNFIK-UHFFFAOYSA-O
XLogP2.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetamide
CID 130635341
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
CID 155978412
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
CID 53397348
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
dipropan-2-yl 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propanedioate
CID 103972703
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
2-(aminomethyl)-4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanoic acid
CID 106489071

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium?
The IUPAC name of [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium (CID 91198018) is [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium.
What is the SMILES notation for [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium?
The canonical SMILES for [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium is C=[P+](C)CC(N)CCC(C)NC(=O)OCc1cnc(C)s1.
What is the InChIKey of [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium?
The InChIKey is JGSHDMOXZCNFIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N3O2PS/c1-10(5-6-12(15)9-20(3)4)17-14(18)19-8-13-7-16-11(2)21-13/h7,10,12H,3,5-6,8-9,15H2,1-2,4H3/p+1.
What are the key properties of [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium?
[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium has a molecular weight of 330.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium is sourced from PubChem (CID 91198018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).