4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

C16H29N3S — CID 62767699

IUPAC4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC1CC1)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C16H29N3S/c1-6-9-19(11-12-7-8-12)15-18-14(16(2,3)4)13(20-15)10-17-5/h12,17H,6-11H2,1-5H3
InChIKeyZALAOMAHBOEIEF-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.79
Rot. Bonds7

About 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 62767699) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID62767699
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC1CC1)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C16H29N3S/c1-6-9-19(11-12-7-8-12)15-18-14(16(2,3)4)13(20-15)10-17-5/h12,17H,6-11H2,1-5H3
InChIKeyZALAOMAHBOEIEF-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63938359
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62769296
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62764685
4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 107402320
N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55113145
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766838
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117474
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (CID 62767699) is 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is CCCN(CC1CC1)c1nc(C(C)(C)C)c(CNC)s1.
What is the InChIKey of 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is ZALAOMAHBOEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-9-19(11-12-7-8-12)15-18-14(16(2,3)4)13(20-15)10-17-5/h12,17H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).